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Jens K. Nørskov - Publications

Affiliations: 
Chemical Engineering Stanford University, Palo Alto, CA 
Website:
https://profiles.stanford.edu/jens-noerskov
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Year Citation  Score
2023 Karmodak N, Nørskov JK. Activity And Stability of Single- And Di-Atom Catalysts for the O Reduction Reaction. Angewandte Chemie (International Ed. in English). 62: e202311113. PMID 37756676 DOI: 10.1002/anie.202311113  0.321
2022 Kamat GA, Zamora Zeledón JA, Gunasooriya GTKK, Dull SM, Perryman JT, Nørskov JK, Stevens MB, Jaramillo TF. Acid anion electrolyte effects on platinum for oxygen and hydrogen electrocatalysis. Communications Chemistry. 5: 20. PMID 36697647 DOI: 10.1038/s42004-022-00635-1  0.815
2022 Abraham CS, Anand M, Kelly SR, Wang Z, Nørskov JK. Analysing oxygen reduction electrocatalysis on transition metal doped niobium oxide(110). Physical Chemistry Chemical Physics : Pccp. PMID 35791889 DOI: 10.1039/d1cp05725a  0.302
2022 Vijay S, Kastlunger G, Chan K, Nørskov JK. Limits to scaling relations between adsorption energies? The Journal of Chemical Physics. 156: 231102. PMID 35732521 DOI: 10.1063/5.0096625  0.748
2022 Gunasooriya GTKK, Kreider ME, Liu Y, Zamora Zeledón JA, Wang Z, Valle E, Yang AC, Gallo A, Sinclair R, Stevens MB, Jaramillo TF, Nørskov JK. First-Row Transition Metal Antimonates for the Oxygen Reduction Reaction. Acs Nano. PMID 35377139 DOI: 10.1021/acsnano.2c00420  0.818
2021 Patel AM, Vijay S, Kastlunger G, Nørskov JK, Chan K. Generalizable Trends in Electrochemical Protonation Barriers. The Journal of Physical Chemistry Letters. 5193-5200. PMID 34038125 DOI: 10.1021/acs.jpclett.1c00800  0.766
2021 Lee EMY, Ludwig T, Yu B, Singh AR, Gygi F, Nørskov JK, de Pablo JJ. Neural Network Sampling of the Free Energy Landscape for Nitrogen Dissociation on Ruthenium. The Journal of Physical Chemistry Letters. 2954-2962. PMID 33729797 DOI: 10.1021/acs.jpclett.1c00195  0.765
2021 Zamora Zeledón JA, Stevens MB, Gunasooriya GTKK, Gallo A, Landers AT, Kreider ME, Hahn C, Nørskov JK, Jaramillo TF. Tuning the electronic structure of Ag-Pd alloys to enhance performance for alkaline oxygen reduction. Nature Communications. 12: 620. PMID 33504815 DOI: 10.1038/s41467-021-20923-z  0.781
2020 Sours T, Patel A, Nørskov J, Siahrostami S, Kulkarni A. Circumventing Scaling Relations in Oxygen Electrochemistry Using Metal-Organic Frameworks. The Journal of Physical Chemistry Letters. 10029-10036. PMID 33179928 DOI: 10.1021/acs.jpclett.0c02889  0.349
2020 Li H, Nørskov JK. Effects of a conductive support on the bonding of oxygen containing molecules to transition metal oxide surfaces. Physical Chemistry Chemical Physics : Pccp. PMID 33174543 DOI: 10.1039/d0cp04536e  0.323
2020 Ludwig T, Singh AR, Nørskov JK. Acetonitrile Transition Metal Interfaces from First Principles. The Journal of Physical Chemistry Letters. 9802-9811. PMID 33151694 DOI: 10.1021/acs.jpclett.0c02692  0.752
2020 Park J, Chen Z, Flores RA, Wallenestrom G, Kulkarni A, Nørskov JK, Jaramillo TF, Bao Z. 2D Conductive Ni-HAB as a Catalyst for the Electrochemical Oxygen Reduction Reaction. Acs Applied Materials & Interfaces. PMID 32805928 DOI: 10.1021/Acsami.0C09323  0.415
2020 Rohr BA, Singh AR, Gauthier JA, Statt MJ, Nørskov JK. Micro-kinetic model of electrochemical carbon dioxide reduction over platinum in non-aqueous solvents. Physical Chemistry Chemical Physics : Pccp. PMID 32296799 DOI: 10.1039/C9Cp05751J  0.796
2020 McEnaney JM, Rohr BA, Nielander AC, Singh AR, King LA, Nørskov JK, Jaramillo TF. A cyclic electrochemical strategy to produce acetylene from CO2, CH4, or alternative carbon sources Sustainable Energy & Fuels. 4: 2752-2759. DOI: 10.1039/C9Se00799G  0.719
2020 Kelly SR, Kirk C, Chan K, Nørskov JK. Electric Field Effects in Oxygen Reduction Kinetics:Rationalizing pH Dependence at the Pt(111), Au(111), and Au(100) Electrodes Journal of Physical Chemistry C. 124: 14581-14591. DOI: 10.1021/Acs.Jpcc.0C02127  0.794
2020 Kreider ME, Stevens MB, Liu Y, Patel AM, Statt MJ, Gibbons BM, Gallo A, Ben-Naim M, Mehta A, Davis RC, Ievlev AV, Nørskov JK, Sinclair R, King LA, Jaramillo TF. Nitride or Oxynitride? Elucidating the Composition–Activity Relationships in Molybdenum Nitride Electrocatalysts for the Oxygen Reduction Reaction Chemistry of Materials. 32: 2946-2960. DOI: 10.1021/Acs.Chemmater.9B05212  0.376
2020 Flores RA, Paolucci C, Winther KT, Jain A, Torres JAG, Aykol M, Montoya J, Nørskov JK, Bajdich M, Bligaard T. Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction Chemistry of Materials. 32: 5854-5863. DOI: 10.1021/Acs.Chemmater.0C01894  0.323
2020 Elnabawy AO, Schumann J, Bothra P, Cao A, Nørskov JK. The Challenge of CO Hydrogenation to Methanol: Fundamental Limitations Imposed by Linear Scaling Relations Topics in Catalysis. 63: 635-648. DOI: 10.1007/S11244-020-01283-2  0.38
2020 Schwalbe JA, Statt MJ, Chosy C, Singh AR, Rohr BA, Nielander AC, Andersen SZ, McEnaney JM, Baker JG, Jaramillo TF, Norskov JK, Cargnello M. A Combined Theory‐Experiment Analysis of the Surface Species in Lithium‐Mediated NH 3 Electrosynthesis Chemelectrochem. 7: 1542-1549. DOI: 10.1002/celc.201902124  0.714
2019 Andersen SZ, Čolić V, Yang S, Schwalbe JA, Nielander AC, McEnaney JM, Enemark-Rasmussen K, Baker JG, Singh AR, Rohr BA, Statt MJ, Blair SJ, Mezzavilla S, Kibsgaard J, Vesborg PCK, et al. Author Correction: A rigorous electrochemical ammonia synthesis protocol with quantitative isotope measurements. Nature. PMID 31554972 DOI: 10.1038/S41586-019-1625-1  0.713
2019 Jiang K, Back S, Akey AJ, Xia C, Hu Y, Liang W, Schaak D, Stavitski E, Nørskov JK, Siahrostami S, Wang H. Highly selective oxygen reduction to hydrogen peroxide on transition metal single atom coordination. Nature Communications. 10: 3997. PMID 31488826 DOI: 10.1038/S41467-019-11992-2  0.792
2019 Strickler AL, Flores RA, King LA, Nørskov JK, Bajdich M, Jaramillo TF. Systematic Investigation of Iridium-Based Bimetallic Thin Film Catalysts for the Oxygen Evolution Reaction in Acidic Media. Acs Applied Materials & Interfaces. PMID 31442022 DOI: 10.1021/Acsami.9B13697  0.422
2019 Kreider ME, Gallo A, Back S, Liu Y, Siahrostami S, Nordlund D, Sinclair R, Nørskov JK, King LA, Jaramillo TF. Precious Metal-Free Nickel Nitride Catalyst for the Oxygen Reduction Reaction. Acs Applied Materials & Interfaces. PMID 31310093 DOI: 10.1021/Acsami.9B07116  0.813
2019 Nitopi S, Bertheussen E, Scott SB, Liu X, Engstfeld AK, Horch S, Seger B, Stephens IEL, Chan K, Hahn C, Nørskov JK, Jaramillo TF, Chorkendorff I. Progress and Perspectives of Electrochemical CO Reduction on Copper in Aqueous Electrolyte. Chemical Reviews. PMID 31117420 DOI: 10.1021/Acs.Chemrev.8B00705  0.368
2019 Andersen SZ, Čolić V, Yang S, Schwalbe JA, Nielander AC, McEnaney JM, Enemark-Rasmussen K, Baker JG, Singh AR, Rohr BA, Statt MJ, Blair SJ, Mezzavilla S, Kibsgaard J, Vesborg PCK, et al. A rigorous electrochemical ammonia synthesis protocol with quantitative isotope measurements. Nature. PMID 31117118 DOI: 10.1038/S41586-019-1260-X  0.759
2019 Liu X, Schlexer P, Xiao J, Ji Y, Wang L, Sandberg RB, Tang M, Brown KS, Peng H, Ringe S, Hahn C, Jaramillo TF, Nørskov JK, Chan K. pH effects on the electrochemical reduction of CO towards C products on stepped copper. Nature Communications. 10: 32. PMID 30604776 DOI: 10.1038/S41467-018-07970-9  0.635
2019 Jain A, Wang Z, Nørskov JK. Stable Two-Dimensional Materials for Oxygen Reduction and Oxygen Evolution Reactions Acs Energy Letters. 4: 1410-1411. DOI: 10.1021/Acsenergylett.9B00876  0.342
2019 Baek JH, Gill TM, Abroshan H, Park S, Shi X, Nørskov J, Jung HS, Siahrostami S, Zheng X. Selective and Efficient Gd-Doped BiVO4 Photoanode for Two-Electron Water Oxidation to H2O2 Acs Energy Letters. 4: 720-728. DOI: 10.1021/Acsenergylett.9B00277  0.34
2019 Shadravan V, Bukas VJ, Gunasooriya GTKK, Waleson J, Drewery M, Karibika J, Jones J, Kennedy E, Adesina A, Nørskov JK, Stockenhuber M. Effect of Manganese on the Selective Catalytic Hydrogenation of COx in the Presence of Light Hydrocarbons Over Ni/Al2O3: An Experimental and Computational Study Acs Catalysis. 10: 1535-1547. DOI: 10.1021/Acscatal.9B04863  0.372
2019 Anand M, Nørskov JK. Scaling Relations in Homogeneous Catalysis: Analyzing the Buchwald–Hartwig Amination Reaction Acs Catalysis. 10: 336-345. DOI: 10.1021/Acscatal.9B04323  0.353
2019 Singh AR, Rohr BA, Statt MJ, Schwalbe JA, Cargnello M, Nørskov JK. Strategies toward Selective Electrochemical Ammonia Synthesis Acs Catalysis. 9: 8316-8324. DOI: 10.1021/Acscatal.9B02245  0.763
2019 Boyd MJ, Latimer AA, Dickens CF, Nielander AC, Hahn C, Nørskov JK, Higgins DC, Jaramillo TF. Electro-Oxidation of Methane on Platinum under Ambient Conditions Acs Catalysis. 9: 7578-7587. DOI: 10.1021/Acscatal.9B01207  0.325
2019 Kelly SR, Shi X, Back S, Vallez L, Park SY, Siahrostami S, Zheng X, Nørskov JK. ZnO As an Active and Selective Catalyst for Electrochemical Water Oxidation to Hydrogen Peroxide Acs Catalysis. 9: 4593-4599. DOI: 10.1021/Acscatal.8B04873  0.795
2019 Zhao W, Bothra P, Lu Z, Li Y, Mei L, Liu K, Zhao Z, Chen G, Back S, Siahrostami S, Kulkarni A, Nørskov JK, Bajdich M, Cui Y. Improved Oxygen Reduction Reaction Activity of Nanostructured CoS2 through Electrochemical Tuning Acs Applied Energy Materials. 2: 8605-8614. DOI: 10.1021/acsaem.9b01527  0.769
2019 Gauthier JA, Fields M, Bajdich M, Chen LD, Sandberg RB, Chan K, Nørskov JK. Facile Electron Transfer to CO2 during Adsorption at the Metal|Solution Interface The Journal of Physical Chemistry C. 123: 29278-29283. DOI: 10.1021/Acs.Jpcc.9B10205  0.787
2019 Dickens CF, Kirk C, Nørskov JK. Insights into the Electrochemical Oxygen Evolution Reaction with ab Initio Calculations and Microkinetic Modeling: Beyond the Limiting Potential Volcano Journal of Physical Chemistry C. 123: 18960-18977. DOI: 10.1021/Acs.Jpcc.9B03830  0.489
2019 Ji Y, Nørskov JK, Chan K. Scaling Relations on Basal Plane Vacancies of Transition Metal Dichalcogenides for CO2 Reduction The Journal of Physical Chemistry C. 123: 4256-4261. DOI: 10.1021/Acs.Jpcc.8B11628  0.403
2019 Ludwig T, Gauthier JA, Brown KS, Ringe S, Nørskov JK, Chan K. Solvent–Adsorbate Interactions and Adsorbate-Specific Solvent Structure in Carbon Dioxide Reductionon a Stepped Cu Surface Journal of Physical Chemistry C. 123: 5999-6009. DOI: 10.1021/Acs.Jpcc.8B11571  0.768
2019 Dickens CF, Montoya JH, Kulkarni AR, Bajdich M, Nørskov JK. An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces Surface Science. 681: 122-129. DOI: 10.1016/J.Susc.2018.11.019  0.433
2019 Hansen MH, Nørskov JK, Bligaard T. First principles micro-kinetic model of catalytic non-oxidative dehydrogenation of ethane over close-packed metallic facets Journal of Catalysis. 374: 161-170. DOI: 10.1016/J.Jcat.2019.03.034  0.432
2019 Rohr BA, Singh AR, Nørskov JK. A theoretical explanation of the effect of oxygen poisoning on industrial Haber-Bosch catalysts Journal of Catalysis. 372: 33-38. DOI: 10.1016/J.Jcat.2019.01.042  0.767
2019 Singh AR, Rohr BA, Gauthier JA, Nørskov JK. Predicting Chemical Reaction Barriers with a Machine Learning Model Catalysis Letters. 149: 2347-2354. DOI: 10.1007/S10562-019-02705-X  0.792
2018 Back S, Hansen MH, Garrido Torres JA, Zhao Z, Nørskov JK, Siahrostami S, Bajdich M. Prediction of stable and active (oxy-hydro) oxide nanoislands on noble metal supports for electrochemical oxygen reduction reaction. Acs Applied Materials & Interfaces. PMID 30582334 DOI: 10.1021/Acsami.8B15428  0.812
2018 Duyar M, Tsai C, Snider JL, Singh JA, Gallo A, Yoo JS, Medford AJ, Abild-Pedersen F, Studt F, Kibsgaard J, Bent S, Nørskov JK, Jaramillo T. Discovery of a highly active molybdenum phosphide catalyst for methanol synthesis from CO and CO2. Angewandte Chemie (International Ed. in English). PMID 30134041 DOI: 10.1002/Anie.201806583  0.359
2018 Chen LD, Bajdich M, Martirez JMP, Krauter CM, Gauthier JA, Carter EA, Luntz AC, Chan K, Nørskov JK. Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer. Nature Communications. 9: 3202. PMID 30097564 DOI: 10.1038/S41467-018-05511-Y  0.8
2018 Chen S, Chen Z, Siahrostami S, Higgins D, Nordlund D, Sokaras D, Kim TR, Liu Y, Yan X, Nilsson E, Sinclair R, Norskov JK, Jaramillo TF, Bao Z. Designing Boron Nitride Islands in Carbon Materials for Efficient Electrochemical Synthesis of Hydrogen Peroxide. Journal of the American Chemical Society. PMID 29874062 DOI: 10.1021/Jacs.8B02798  0.385
2018 Kakekhani A, Roling LT, Kulkarni A, Latimer AA, Abroshan H, Schumann J, AlJama H, Siahrostami S, Ismail-Beigi S, Abild-Pedersen F, Nørskov JK. Nature of Lone-Pair-Surface Bonds and Their Scaling Relations. Inorganic Chemistry. PMID 29863849 DOI: 10.1021/Acs.Inorgchem.8B00902  0.802
2018 Kulkarni A, Siahrostami S, Patel A, Nørskov JK. Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction. Chemical Reviews. PMID 29405702 DOI: 10.1021/Acs.Chemrev.7B00488  0.435
2018 Zhang L, Mallikarjun Sharada S, Singh AR, Rohr BA, Su Y, Qiao L, Nørskov JK. A theoretical study of the effect of a non-aqueous proton donor on electrochemical ammonia synthesis. Physical Chemistry Chemical Physics : Pccp. PMID 29387843 DOI: 10.1039/C7Cp05484J  0.777
2018 Montoya JH, Doyle AD, Nørskov JK, Vojvodic A. Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO3 oxides. Physical Chemistry Chemical Physics : Pccp. PMID 29349458 DOI: 10.1039/C7Cp06539F  0.408
2018 Kulkarni AR, Zhao Z, Siahrostami S, Nørskov JK, Studt F. Cation-exchanged zeolites for the selective oxidation of methane to methanol Catalysis Science & Technology. 8: 114-123. DOI: 10.1039/C7Cy01229B  0.394
2018 Sandberg RB, Hansen MH, Nørskov JK, Abild-Pedersen F, Bajdich M. Strongly Modified Scaling of CO Hydrogenation in Metal Supported TiO Nanostripes Acs Catalysis. 8: 10555-10563. DOI: 10.1021/Acscatal.8B03327  0.432
2018 Gauthier JA, Ringe S, Dickens CF, Garza AJ, Bell AT, Head-Gordon M, Nørskov JK, Chan K. Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models Acs Catalysis. 9: 920-931. DOI: 10.1021/Acscatal.8B02793  0.796
2018 Cao A, Schumann J, Wang T, Zhang L, Xiao J, Bothra P, Liu Y, Abild-Pedersen F, Nørskov JK. Mechanistic Insights into the Synthesis of Higher Alcohols from Syngas on CuCo Alloys Acs Catalysis. 8: 10148-10155. DOI: 10.1021/Acscatal.8B01596  0.438
2018 Wang L, Nitopi SA, Bertheussen E, Orazov M, Morales-Guio CG, Liu X, Higgins DC, Chan K, Nørskov JK, Hahn C, Jaramillo TF. Electrochemical Carbon Monoxide Reduction on Polycrystalline Copper: Effects of Potential, Pressure, and pH on Selectivity toward Multicarbon and Oxygenated Products Acs Catalysis. 8: 7445-7454. DOI: 10.1021/Acscatal.8B01200  0.349
2018 Latimer AA, Kakekhani A, Kulkarni AR, Nørskov JK. Direct Methane to Methanol: The Selectivity–Conversion Limit and Design Strategies Acs Catalysis. 8: 6894-6907. DOI: 10.1021/Acscatal.8B00220  0.361
2018 Schumann J, Medford AJ, Yoo JS, Zhao Z, Bothra P, Cao A, Studt F, Abild-Pedersen F, Nørskov JK. Selectivity of Synthesis Gas Conversion to C2+ Oxygenates on fcc(111) Transition-Metal Surfaces Acs Catalysis. 8: 3447-3453. DOI: 10.1021/Acscatal.8B00201  0.429
2018 Singh AR, Montoya JH, Rohr BA, Tsai C, Vojvodic A, Nørskov JK. Computational Design of Active Site Structures with Improved Transition-State Scaling for Ammonia Synthesis Acs Catalysis. 8: 4017-4024. DOI: 10.1021/Acscatal.8B00106  0.787
2018 Higgins D, Wette M, Gibbons BM, Siahrostami S, Hahn C, Escudero-Escribano M, García-Melchor M, Ulissi Z, Davis RC, Mehta A, Clemens BM, Nørskov JK, Jaramillo TF. Copper Silver Thin Films with Metastable Miscibility for Oxygen Reduction Electrocatalysis in Alkaline Electrolytes Acs Applied Energy Materials. 1: 1990-1999. DOI: 10.1021/acsaem.8b00090  0.754
2018 Patel AM, Ringe S, Siahrostami S, Bajdich M, Nørskov JK, Kulkarni AR. Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single-Atom Catalysts Journal of Physical Chemistry C. 122: 29307-29318. DOI: 10.1021/Acs.Jpcc.8B09430  0.431
2018 Aljama H, Nørskov JK, Abild-Pedersen F. Tuning Methane Activation Chemistry on Alkaline Earth Metal Oxides by Doping The Journal of Physical Chemistry C. 122: 22544-22548. DOI: 10.1021/Acs.Jpcc.8B06682  0.818
2018 Fields M, Hong X, Nørskov JK, Chan K. Role of Subsurface Oxygen on Cu Surfaces for CO2 Electrochemical Reduction Journal of Physical Chemistry C. 122: 16209-16215. DOI: 10.1021/Acs.Jpcc.8B04983  0.354
2018 Yoo JS, Schumann J, Studt F, Abild-Pedersen F, Nørskov JK. Theoretical Investigation of Methane Oxidation on Pd(111) and Other Metallic Surfaces Journal of Physical Chemistry C. 122: 16023-16032. DOI: 10.1021/Acs.Jpcc.8B02142  0.372
2018 Abroshan H, Bothra P, Back S, Kulkarni A, Nørskov JK, Siahrostami S. Ultrathin Cobalt Oxide Overlayer Promotes Catalytic Activity of Cobalt Nitride for the Oxygen Reduction Reaction The Journal of Physical Chemistry C. 122: 4783-4791. DOI: 10.1021/Acs.Jpcc.7B12643  0.808
2018 Singh JA, Cao A, Schumann J, Wang T, Nørskov JK, Abild-Pedersen F, Bent SF. Theoretical and Experimental Studies of CoGa Catalysts for the Hydrogenation of CO2 to Methanol Catalysis Letters. 148: 3583-3591. DOI: 10.1007/S10562-018-2542-X  0.406
2018 Anand M, Siahrostami S, Nørskov JK. Exploring the Effect of Gold Support on the Oxygen Reduction Reaction Activity of Metal Porphycenes Chemcatchem. 10: 5505-5510. DOI: 10.1002/Cctc.201801408  0.394
2017 Kirk C, Chen LD, Siahrostami S, Karamad M, Bajdich M, Voss J, Nørskov JK, Chan K. Theoretical Investigations of the Electrochemical Reduction of CO on Single Metal Atoms Embedded in Graphene. Acs Central Science. 3: 1286-1293. PMID 29296669 DOI: 10.1021/Acscentsci.7B00442  0.82
2017 Shi X, Siahrostami S, Li GL, Zhang Y, Chakthranont P, Studt F, Jaramillo TF, Zheng X, Nørskov JK. Understanding activity trends in electrochemical water oxidation to form hydrogen peroxide. Nature Communications. 8: 701. PMID 28951571 DOI: 10.1038/S41467-017-00585-6  0.365
2017 Feaster JT, Jongerius AL, Liu X, Urushihara M, Nitopi SA, Hahn C, Chan K, Nørskov JK, Jaramillo TF. Understanding the Influence of [EMIM]Cl on the Suppression of the Hydrogen Evolution Reaction on Transition Metal Electrodes. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28691827 DOI: 10.1021/Acs.Langmuir.7B01170  0.362
2017 Cave ER, Montoya JH, Kuhl KP, Abram DN, Hatsukade T, Shi C, Hahn C, Nørskov JK, Jaramillo TF. Electrochemical CO2 reduction on Au surfaces: mechanistic aspects regarding the formation of major and minor products. Physical Chemistry Chemical Physics : Pccp. PMID 28585950 DOI: 10.1039/C7Cp02855E  0.362
2017 Kim D, Xie C, Becknell N, Yu Y, Karamad M, Chan K, Crumlin EJ, Norskov JK, Yang P. Electrochemical Activation of CO2 through Atomic Ordering Transformations of AuCu Nanoparticles. Journal of the American Chemical Society. PMID 28551991 DOI: 10.1021/Jacs.7B03516  0.318
2017 Liu X, Xiao J, Peng H, Hong X, Chan K, Nørskov JK. Understanding trends in electrochemical carbon dioxide reduction rates. Nature Communications. 8: 15438. PMID 28530224 DOI: 10.1038/Ncomms15438  0.428
2017 Tsai C, Li H, Park S, Park J, Han HS, Nørskov JK, Zheng X, Abild-Pedersen F. Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution. Nature Communications. 8: 15113. PMID 28429782 DOI: 10.1038/Ncomms15113  0.396
2017 Ulissi ZW, Medford AJ, Bligaard T, Nørskov JK. To address surface reaction network complexity using scaling relations machine learning and DFT calculations. Nature Communications. 8: 14621. PMID 28262694 DOI: 10.1038/Ncomms14621  0.802
2017 Siahrostami S, Li GL, Viswanathan V, Nørskov JK. One- or Two-Electron Water Oxidation, Hydroxyl Radical, or H2O2 Evolution. The Journal of Physical Chemistry Letters. 1157-1160. PMID 28231706 DOI: 10.1021/Acs.Jpclett.6B02924  0.635
2017 Latimer AA, Aljama H, Kakekhani A, Yoo JS, Kulkarni A, Tsai C, Garcia-Melchor M, Abild-Pedersen F, Nørskov JK. Mechanistic insights into heterogeneous methane activation. Physical Chemistry Chemical Physics : Pccp. PMID 28094377 DOI: 10.1039/C6Cp08003K  0.813
2017 Seh ZW, Kibsgaard J, Dickens CF, Chorkendorff I, Nørskov JK, Jaramillo TF. Combining theory and experiment in electrocatalysis: Insights into materials design. Science (New York, N.Y.). 355. PMID 28082532 DOI: 10.1126/Science.Aad4998  0.428
2017 McEnaney JM, Singh AR, Schwalbe JA, Kibsgaard J, Lin JC, Cargnello M, Jaramillo TF, Nørskov JK. Ammonia synthesis from N2and H2O using a lithium cycling electrification strategy at atmospheric pressure Energy & Environmental Science. 10: 1621-1630. DOI: 10.1039/C7Ee01126A  0.714
2017 Chen Z, Chen S, Siahrostami S, Chakthranont P, Hahn C, Nordlund D, Dimosthenis S, Nørskov JK, Bao Z, Jaramillo TF. Development of a reactor with carbon catalysts for modular-scale, low-cost electrochemical generation of H2O2 Reaction Chemistry & Engineering. 2: 239-245. DOI: 10.1039/C6Re00195E  0.324
2017 Siahrostami S, Jiang K, Karamad M, Chan K, Wang H, Nørskov J. Theoretical Investigations into Defected Graphene for Electrochemical Reduction of CO2 Acs Sustainable Chemistry & Engineering. 5: 11080-11085. DOI: 10.1021/Acssuschemeng.7B03031  0.397
2017 Chen S, Chen Z, Siahrostami S, Kim TR, Nordlund D, Sokaras D, Nowak S, To JWF, Higgins D, Sinclair R, Nørskov JK, Jaramillo TF, Bao Z. Defective Carbon-Based Materials for the Electrochemical Synthesis of Hydrogen Peroxide Acs Sustainable Chemistry & Engineering. 6: 311-317. DOI: 10.1021/Acssuschemeng.7B02517  0.41
2017 Yang N, Yoo JS, Schumann J, Bothra P, Singh JA, Valle E, Abild-Pedersen F, Nørskov JK, Bent SF. Rh-MnO Interface Sites Formed by Atomic Layer Deposition Promote Syngas Conversion to Higher Oxygenates Acs Catalysis. 7: 5746-5757. DOI: 10.1021/Acscatal.7B01851  0.372
2017 Ulissi ZW, Tang MT, Xiao J, Liu X, Torelli DA, Karamad M, Cummins K, Hahn C, Lewis NS, Jaramillo TF, Chan K, Nørskov JK. Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal Active Site Motifs for CO2 Reduction Acs Catalysis. 7: 6600-6608. DOI: 10.1021/Acscatal.7B01648  0.802
2017 Latimer AA, Abild-Pedersen F, Nørskov JK. A Theoretical Study of Methanol Oxidation on RuO2(110): Bridging the Pressure Gap Acs Catalysis. 7: 4527-4534. DOI: 10.1021/Acscatal.7B01417  0.375
2017 Feaster JT, Shi C, Cave ER, Hatsukade T, Abram DN, Kuhl KP, Hahn C, Nørskov JK, Jaramillo TF. Understanding Selectivity for the Electrochemical Reduction of Carbon Dioxide to Formic Acid and Carbon Monoxide on Metal Electrodes Acs Catalysis. 7: 4822-4827. DOI: 10.1021/Acscatal.7B00687  0.381
2017 Andersen M, Medford AJ, Nørskov JK, Reuter K. Scaling-Relation-Based Analysis of Bifunctional Catalysis: The Case for Homogeneous Bimetallic Alloys Acs Catalysis. 7: 3960-3967. DOI: 10.1021/Acscatal.7B00482  0.404
2017 Fields M, Tsai C, Chen LD, Abild-Pedersen F, Nørskov JK, Chan K. Scaling Relations for Adsorption Energies on Doped Molybdenum Phosphide Surfaces Acs Catalysis. 7: 2528-2534. DOI: 10.1021/Acscatal.6B03403  0.774
2017 Zhao W, Doyle AD, Morgan SE, Bajdich M, Nørskov JK, Campbell CT. Formic Acid Dissociative Adsorption on NiO(111): Energetics and Structure of Adsorbed Formate The Journal of Physical Chemistry C. 121: 28001-28006. DOI: 10.1021/Acs.Jpcc.7B09405  0.363
2017 Aljama H, Nørskov JK, Abild-Pedersen F. Theoretical Insights into Methane C–H Bond Activation on Alkaline Metal Oxides Journal of Physical Chemistry C. 121: 16440-16446. DOI: 10.1021/Acs.Jpcc.7B05838  0.82
2017 Mallikarjun Sharada S, Bligaard T, Luntz AC, Kroes G, Nørskov JK. SBH10: A Benchmark Database of Barrier Heights on Transition Metal Surfaces The Journal of Physical Chemistry C. 121: 19807-19815. DOI: 10.1021/Acs.Jpcc.7B05677  0.37
2017 Dickens CF, Nørskov JK. A Theoretical Investigation into the Role of Surface Defects for Oxygen Evolution on RuO2 Journal of Physical Chemistry C. 121: 18516-18524. DOI: 10.1021/Acs.Jpcc.7B03481  0.406
2017 Gauthier JA, Dickens CF, Chen LD, Doyle AD, Nørskov JK. Solvation Effects for Oxygen Evolution Reaction Catalysis on IrO2(110) The Journal of Physical Chemistry C. 121: 11455-11463. DOI: 10.1021/Acs.Jpcc.7B02383  0.798
2017 Nilsson A, LaRue J, Öberg H, Ogasawara H, Dell'Angela M, Beye M, Öström H, Gladh J, Nørskov J, Wurth W, Abild-Pedersen F, Pettersson L. Catalysis in real time using X-ray lasers Chemical Physics Letters. 675: 145-173. DOI: 10.1016/J.Cplett.2017.02.018  0.33
2017 Jiang K, Siahrostami S, Akey AJ, Li Y, Lu Z, Lattimer J, Hu Y, Stokes C, Gangishetty M, Chen G, Zhou Y, Hill W, Cai W, Bell D, Chan K, et al. Transition-Metal Single Atoms in a Graphene Shell as Active Centers for Highly Efficient Artificial Photosynthesis Chem. 3: 950-960. DOI: 10.1016/J.Chempr.2017.09.014  0.406
2017 Yang N, Liu X, Asundi AS, Nørskov JK, Bent SF. The Role of Sodium in Tuning Product Distribution in Syngas Conversion by Rh Catalysts Catalysis Letters. 148: 289-297. DOI: 10.1007/S10562-017-2223-1  0.425
2017 Siahrostami S, Li G, Nørskov JK, Studt F. Trends in Adsorption Energies of the Oxygenated Species on Single Platinum Atom Embedded in Carbon Nanotubes Catalysis Letters. 147: 2689-2696. DOI: 10.1007/S10562-017-2200-8  0.41
2016 Montoya JH, Seitz LC, Chakthranont P, Vojvodic A, Jaramillo TF, Nørskov JK. Materials for solar fuels and chemicals. Nature Materials. 16: 70-81. PMID 27994241 DOI: 10.1038/Nmat4778  0.315
2016 Wang H, Xu S, Tsai C, Li Y, Liu C, Zhao J, Liu Y, Yuan H, Abild-Pedersen F, Prinz FB, Nørskov JK, Cui Y. Direct and continuous strain control of catalysts with tunable battery electrode materials. Science (New York, N.Y.). 354: 1031-1036. PMID 27885028 DOI: 10.1126/Science.Aaf7680  0.38
2016 Latimer AA, Kulkarni AR, Aljama H, Montoya JH, Yoo JS, Tsai C, Abild-Pedersen F, Studt F, Nørskov JK. Understanding trends in C-H bond activation in heterogeneous catalysis. Nature Materials. PMID 27723737 DOI: 10.1038/Nmat4760  0.807
2016 Seitz LC, Dickens CF, Nishio K, Hikita Y, Montoya J, Doyle A, Kirk C, Vojvodic A, Hwang HY, Norskov JK, Jaramillo TF. A highly active and stable IrOx/SrIrO3 catalyst for the oxygen evolution reaction. Science (New York, N.Y.). 353: 1011-1014. PMID 27701108 DOI: 10.1126/Science.Aaf5050  0.819
2016 Ulissi ZW, Singh AR, Tsai C, Norskov JK. Automated Discovery and Construction of Surface Phase Diagrams using Machine Learning. The Journal of Physical Chemistry Letters. PMID 27558978 DOI: 10.1021/Acs.Jpclett.6B01254  0.797
2016 Chan K, Norskov JK. Potential Dependence of Electrochemical Barriers From Ab Initio Calculations. The Journal of Physical Chemistry Letters. PMID 27088442 DOI: 10.1021/Acs.Jpclett.6B00382  0.331
2016 Andersen M, Medford AJ, Nørskov JK, Reuter K. Analyzing the Case for Bifunctional Catalysis. Angewandte Chemie (International Ed. in English). 55: 5210-4. PMID 27005967 DOI: 10.1002/Anie.201601049  0.428
2016 Hansen HA, Shi C, Lausche AC, Peterson AA, Nørskov JK. Bifunctional alloys for the electroreduction of CO2 and CO. Physical Chemistry Chemical Physics : Pccp. 18: 9194-201. PMID 26974516 DOI: 10.1039/C5Cp07717F  0.576
2016 Yang N, Medford AJ, Liu X, Studt F, Bligaard T, Bent SF, Nørskov JK. Intrinsic Selectivity and Structure Sensitivity of Rhodium Catalysts for C2+ Oxygenate Production. Journal of the American Chemical Society. PMID 26958997 DOI: 10.1021/Jacs.5B12087  0.425
2016 Hansen HA, Shi C, Lausche AC, Peterson AA, Nørskov JK. Bifunctional alloys for the electroreduction of CO2 and CO Physical Chemistry Chemical Physics. 18: 9194-9201. DOI: 10.1039/c5cp07717f  0.531
2016 Singh AR, Rohr BA, Schwalbe JA, Cargnello M, Chan K, Jaramillo TF, Chorkendorff I, Nørskov JK. Electrochemical Ammonia Synthesis—The Selectivity Challenge Acs Catalysis. 7: 706-709. DOI: 10.1021/Acscatal.6B03035  0.72
2016 Chen LD, Urushihara M, Chan K, Nørskov JK. Electric Field Effects in Electrochemical CO2 Reduction Acs Catalysis. 6: 7133-7139. DOI: 10.1021/Acscatal.6B02299  0.756
2016 Zhao W, Bajdich M, Carey S, Vojvodic A, Nørskov JK, Campbell CT. Water Dissociative Adsorption on NiO(111): Energetics and Structure of the Hydroxylated Surface Acs Catalysis. 6: 7377-7384. DOI: 10.1021/Acscatal.6B01997  0.39
2016 Kulkarni AR, Zhao Z, Siahrostami S, Nørskov JK, Studt F. Monocopper Active Site for Partial Methane Oxidation in Cu-Exchanged 8MR Zeolites Acs Catalysis. 6: 6531-6536. DOI: 10.1021/Acscatal.6B01895  0.373
2016 Hong X, Chan K, Tsai C, Nørskov JK. How Doped MoS2 Breaks Transition-Metal Scaling Relations for CO2 Electrochemical Reduction Acs Catalysis. 6: 4428-4437. DOI: 10.1021/Acscatal.6B00619  0.399
2016 Zhao Z, Kulkarni A, Vilella L, Nørskov JK, Studt F. Theoretical Insights into the Selective Oxidation of Methane to Methanol in Copper-Exchanged Mordenite Acs Catalysis. 6: 3760-3766. DOI: 10.1021/Acscatal.6B00440  0.4
2016 Shi C, Chan K, Yoo JS, Nørskov JK. Barriers of Electrochemical CO2 Reduction on Transition Metals Organic Process Research and Development. 20: 1424-1430. DOI: 10.1021/Acs.Oprd.6B00103  0.422
2016 Christensen R, Hansen HA, Dickens CF, Nørskov JK, Vegge T. Functional Independent Scaling Relation for ORR/OER Catalysts The Journal of Physical Chemistry C. 120: 24910-24916. DOI: 10.1021/Acs.Jpcc.6B09141  0.401
2016 Sandberg RB, Montoya JH, Chan K, Nørskov JK. CO-CO coupling on Cu facets: Coverage, strain and field effects Surface Science. 654: 56-62. DOI: 10.1016/J.Susc.2016.08.006  0.304
2016 Jovanov ZP, Hansen HA, Varela AS, Malacrida P, Peterson AA, Nørskov JK, Stephens IE, Chorkendorff I. Opportunities and challenges in the electrocatalysis of CO2 and CO reduction using bifunctional surfaces: A theoretical and experimental study of Au–Cd alloys Journal of Catalysis. 343: 215-231. DOI: 10.1016/J.Jcat.2016.04.008  0.666
2016 To JWF, Ng JWD, Siahrostami S, Koh AL, Lee Y, Chen Z, Fong KD, Chen S, He J, Bae W, Wilcox J, Jeong HY, Kim K, Studt F, Nørskov JK, et al. High-performance oxygen reduction and evolution carbon catalysis: From mechanistic studies to device integration Nano Research. 10: 1163-1177. DOI: 10.1007/S12274-016-1347-8  0.437
2016 Siahrostami S, Tsai C, Karamad M, Koitz R, García-Melchor M, Bajdich M, Vojvodic A, Abild-Pedersen F, Nørskov JK, Studt F. Two-Dimensional Materials as Catalysts for Energy Conversion Catalysis Letters. 1-5. DOI: 10.1007/S10562-016-1837-Z  0.445
2016 Tsai C, Lee K, Yoo JS, Liu X, Aljama H, Chen LD, Dickens CF, Geisler TS, Guido CJ, Joseph TM, Kirk CS, Latimer AA, Loong B, McCarty RJ, Montoya JH, et al. Direct Water Decomposition on Transition Metal Surfaces: Structural Dependence and Catalytic Screening Catalysis Letters. 1-7. DOI: 10.1007/S10562-016-1708-7  0.791
2016 Aljama H, Yoo JS, Nørskov JK, Abild-Pedersen F, Studt F. Methanol Partial Oxidation on Ag(1 1 1) from First Principles Chemcatchem. 8: 3621-3625. DOI: 10.1002/Cctc.201601053  0.819
2016 Siahrostami S, Falsig H, Beato P, Moses PG, Nørskov JK, Studt F. Exploring Scaling Relations for Chemisorption Energies on Transition-Metal-Exchanged Zeolites ZSM-22 and ZSM-5 Chemcatchem. DOI: 10.1002/Cctc.201501049  0.425
2015 Li L, Abild-Pedersen F, Greeley J, Nørskov JK. Surface Tension Effects on the Reactivity of Metal Nanoparticles. The Journal of Physical Chemistry Letters. 6: 3797-3801. PMID 26722873 DOI: 10.1021/Acs.Jpclett.5B01746  0.389
2015 Yoo JS, Christensen R, Vegge T, Nørskov JK, Studt F. Theoretical Insight into the Trends that Guide the Electrochemical Reduction of Carbon Dioxide to Formic Acid. Chemsuschem. PMID 26663854 DOI: 10.1002/Cssc.201501197  0.434
2015 Li H, Tsai C, Koh AL, Cai L, Contryman AW, Fragapane AH, Zhao J, Han HS, Manoharan HC, Abild-Pedersen F, Nørskov JK, Zheng X. Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies. Nature Materials. PMID 26552057 DOI: 10.1038/Nmat4465  0.387
2015 Viswanathan V, Hansen HA, Nørskov JK. Selective Electrochemical Generation of Hydrogen Peroxide from Water Oxidation. The Journal of Physical Chemistry Letters. 6: 4224-8. PMID 26538037 DOI: 10.1021/Acs.Jpclett.5B02178  0.619
2015 Varley JB, Wang Y, Chan K, Studt F, Nørskov JK. Mechanistic insights into nitrogen fixation by nitrogenase enzymes. Physical Chemistry Chemical Physics : Pccp. PMID 26366854 DOI: 10.1039/C5Cp04034E  0.31
2015 Chan K, Nørskov JK. Electrochemical Barriers Made Simple. The Journal of Physical Chemistry Letters. 6: 2663-8. PMID 26266844 DOI: 10.1021/Acs.Jpclett.5B01043  0.37
2015 Santos EJ, Nørskov JK, Harutyunyan AR, Abild-Pedersen F. Toward Controlled Growth of Helicity-Specific Carbon Nanotubes. The Journal of Physical Chemistry Letters. 6: 2232-7. PMID 26266596 DOI: 10.1021/Acs.Jpclett.5B00880  0.302
2015 Montoya JH, Shi C, Chan K, Nørskov JK. Theoretical Insights into a CO Dimerization Mechanism in CO2 Electroreduction. The Journal of Physical Chemistry Letters. 6: 2032-7. PMID 26266498 DOI: 10.1021/Acs.Jpclett.5B00722  0.311
2015 Chen LD, Nørskov JK, Luntz AC. Al-Air Batteries: Fundamental Thermodynamic Limitations from First-Principles Theory. The Journal of Physical Chemistry Letters. 6: 175-9. PMID 26263108 DOI: 10.1021/Jz502422V  0.733
2015 Montoya JH, Tsai C, Vojvodic A, Nørskov JK. The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations. Chemsuschem. 8: 2180-6. PMID 26097211 DOI: 10.1002/Cssc.201500322  0.361
2015 Xin H, LaRue J, Öberg H, Beye M, Dell'Angela M, Turner JJ, Gladh J, Ng ML, Sellberg JA, Kaya S, Mercurio G, Hieke F, Nordlund D, Schlotter WF, Dakovski GL, et al. Strong Influence of Coadsorbate Interaction on CO Desorption Dynamics on Ru(0001) Probed by Ultrafast X-Ray Spectroscopy and Ab Initio Simulations. Physical Review Letters. 114: 156101. PMID 25933322 DOI: 10.1103/Physrevlett.114.156101  0.36
2015 Koitz R, Nørskov JK, Studt F. A systematic study of metal-supported boron nitride materials for the oxygen reduction reaction. Physical Chemistry Chemical Physics : Pccp. 17: 12722-7. PMID 25904075 DOI: 10.1039/C5Cp01384D  0.44
2015 Öström H, Öberg H, Xin H, LaRue J, Beye M, Dell'Angela M, Gladh J, Ng ML, Sellberg JA, Kaya S, Mercurio G, Nordlund D, Hantschmann M, Hieke F, Kühn D, et al. Surface chemistry. Probing the transition state region in catalytic CO oxidation on Ru. Science (New York, N.Y.). 347: 978-82. PMID 25722407 DOI: 10.1126/Science.1261747  0.33
2015 Yoo JS, Khan TS, Abild-Pedersen F, Nørskov JK, Studt F. On the role of the surface oxygen species during A-H (A = C, N, O) bond activation: a density functional theory study. Chemical Communications (Cambridge, England). 51: 2621-4. PMID 25571859 DOI: 10.1039/C4Cc08658A  0.355
2015 Friebel D, Louie MW, Bajdich M, Sanwald KE, Cai Y, Wise AM, Cheng MJ, Sokaras D, Weng TC, Alonso-Mori R, Davis RC, Bargar JR, Nørskov JK, Nilsson A, Bell AT. Identification of highly active Fe sites in (Ni,Fe)OOH for electrocatalytic water splitting. Journal of the American Chemical Society. 137: 1305-13. PMID 25562406 DOI: 10.1021/Ja511559D  0.466
2015 Montoya JH, Garcia-Mota M, Nørskov JK, Vojvodic A. Theoretical evaluation of the surface electrochemistry of perovskites with promising photon absorption properties for solar water splitting. Physical Chemistry Chemical Physics : Pccp. 17: 2634-40. PMID 25502921 DOI: 10.1039/C4Cp05259E  0.426
2015 Bajdich M, Nørskov JK, Vojvodic A. Surface energetics of alkaline-earth metal oxides: Trends in stability and adsorption of small molecules Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.155401  0.421
2015 Vojvodic A, Nørskov JK. New design paradigm for heterogeneous catalysts National Science Review. 2: 140-143. DOI: 10.1093/Nsr/Nwv023  0.463
2015 Kibsgaard J, Tsai C, Chan K, Benck JD, Nørskov JK, Abild-Pedersen F, Jaramillo TF. Designing an improved transition metal phosphide catalyst for hydrogen evolution using experimental and theoretical trends Energy and Environmental Science. 8: 3022-3029. DOI: 10.1039/C5Ee02179K  0.456
2015 Tsai C, Chan K, Nørskov JK, Abild-Pedersen F. Rational design of MoS2 catalysts: Tuning the structure and activity via transition metal doping Catalysis Science and Technology. 5: 246-253. DOI: 10.1039/C4Cy01162G  0.452
2015 Karamad M, Hansen HA, Rossmeisl J, Nørskov JK. Mechanistic Pathway in the Electrochemical Reduction of CO2 on RuO2 Acs Catalysis. 5: 4075-4081. DOI: 10.1021/Cs501542N  0.365
2015 Yoo JS, Zhao ZJ, Nørskov JK, Studt F. Effect of Boron Modifications of Palladium Catalysts for the Production of Hydrogen from Formic Acid Acs Catalysis. 5: 6579-6586. DOI: 10.1021/Acscatal.5B01497  0.441
2015 Urushihara M, Chan K, Shi C, Nørskov JK. Theoretical Study of EMIM+ Adsorption on Silver Electrode Surfaces Journal of Physical Chemistry C. 119: 20023-20029. DOI: 10.1021/Acs.Jpcc.5B07268  0.441
2015 Chen LD, Norskov JK, Luntz AC. Theoretical Limits to the Anode Potential in Aqueous Mg-Air Batteries Journal of Physical Chemistry C. 119: 19660-19667. DOI: 10.1021/Acs.Jpcc.5B05677  0.733
2015 Santos EJG, Nørskov JK, Vojvodic A. Screened Hybrid Exact Exchange Correction Scheme for Adsorption Energies on Perovskite Oxides Journal of Physical Chemistry C. 119: 17662-17666. DOI: 10.1021/Acs.Jpcc.5B04053  0.375
2015 Wellendorff J, Silbaugh TL, Garcia-Pintos D, Nørskov JK, Bligaard T, Studt F, Campbell CT. A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals Surface Science. DOI: 10.1016/J.Susc.2015.03.023  0.402
2015 Tsai C, Chan K, Nørskov JK, Abild-Pedersen F. Theoretical insights into the hydrogen evolution activity of layered transition metal dichalcogenides Surface Science. DOI: 10.1016/J.Susc.2015.01.019  0.458
2015 Medford AJ, Vojvodic A, Hummelshøj JS, Voss J, Abild-Pedersen F, Studt F, Bligaard T, Nilsson A, Nørskov JK. From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis Journal of Catalysis. 328: 36-42. DOI: 10.1016/J.Jcat.2014.12.033  0.436
2015 Wang H, Tsai C, Kong D, Chan K, Abild-Pedersen F, Nørskov JK, Cui Y. Transition-metal doped edge sites in vertically aligned MoS2 catalysts for enhanced hydrogen evolution Nano Research. 8: 566-575. DOI: 10.1007/S12274-014-0677-7  0.453
2015 Medford AJ, Shi C, Hoffmann MJ, Lausche AC, Fitzgibbon SR, Bligaard T, Nørskov JK. CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends Catalysis Letters. 145: 794-807. DOI: 10.1007/S10562-015-1495-6  0.383
2015 Studt F, Behrens M, Kunkes EL, Thomas N, Zander S, Tarasov A, Schumann J, Frei E, Varley JB, Abild-Pedersen F, Nørskov JK, Schlögl R. Back Cover: The Mechanism of CO and CO2Hydrogenation to Methanol over Cu-Based Catalysts (ChemCatChem 7/2015) Chemcatchem. 7: 1232-1232. DOI: 10.1002/Cctc.201590041  0.312
2015 Studt F, Behrens M, Kunkes EL, Thomas N, Zander S, Tarasov A, Schumann J, Frei E, Varley JB, Abild-Pedersen F, Nørskov JK, Schlögl R. The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu-Based Catalysts Chemcatchem. 7: 1105-1111. DOI: 10.1002/Cctc.201500123  0.384
2014 Tsai C, Chan K, Nørskov JK, Abild-Pedersen F. Understanding the Reactivity of Layered Transition-Metal Sulfides: A Single Electronic Descriptor for Structure and Adsorption. The Journal of Physical Chemistry Letters. 5: 3884-9. PMID 26278764 DOI: 10.1021/Jz5020532  0.435
2014 Wang CM, Brogaard RY, Weckhuysen BM, Nørskov JK, Studt F. Reactivity Descriptor in Solid Acid Catalysis: Predicting Turnover Frequencies for Propene Methylation in Zeotypes. The Journal of Physical Chemistry Letters. 5: 1516-21. PMID 26270089 DOI: 10.1021/Jz500482Z  0.397
2014 Rao R, Sharma R, Abild-Pedersen F, Nørskov JK, Harutyunyan AR. Insights into carbon nanotube nucleation: cap formation governed by catalyst interfacial step flow. Scientific Reports. 4: 6510. PMID 25308821 DOI: 10.1038/Srep06510  0.346
2014 Takehiro N, Liu P, Bergbreiter A, Nørskov JK, Behm RJ. Hydrogen adsorption on bimetallic PdAu(111) surface alloys: minimum adsorption ensemble, ligand and ensemble effects, and ensemble confinement. Physical Chemistry Chemical Physics : Pccp. 16: 23930-43. PMID 25283234 DOI: 10.1039/C4Cp02589J  0.359
2014 Viswanathan V, Pickrahn KL, Luntz AC, Bent SF, Nørskov JK. Nanoscale limitations in metal oxide electrocatalysts for oxygen evolution. Nano Letters. 14: 5853-7. PMID 25216362 DOI: 10.1021/Nl502775U  0.643
2014 Medford AJ, Wellendorff J, Vojvodic A, Studt F, Abild-Pedersen F, Jacobsen KW, Bligaard T, Nørskov JK. Catalysis. Assessing the reliability of calculated catalytic ammonia synthesis rates. Science (New York, N.Y.). 345: 197-200. PMID 25013071 DOI: 10.1126/Science.1253486  0.399
2014 Tsai C, Chan K, Abild-Pedersen F, Nørskov JK. Active edge sites in MoSe2 and WSe2 catalysts for the hydrogen evolution reaction: a density functional study. Physical Chemistry Chemical Physics : Pccp. 16: 13156-64. PMID 24866567 DOI: 10.1039/C4Cp01237B  0.43
2014 Studt F, Sharafutdinov I, Abild-Pedersen F, Elkjær CF, Hummelshøj JS, Dahl S, Chorkendorff I, Nørskov JK. Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol. Nature Chemistry. 6: 320-4. PMID 24651199 DOI: 10.1038/Nchem.1873  0.367
2014 Tsai C, Abild-Pedersen F, Nørskov JK. Tuning the MoS₂ edge-site activity for hydrogen evolution via support interactions. Nano Letters. 14: 1381-7. PMID 24499163 DOI: 10.1021/Nl404444K  0.394
2014 Shi C, Hansen HA, Lausche AC, Nørskov JK. Trends in electrochemical CO2 reduction activity for open and close-packed metal surfaces. Physical Chemistry Chemical Physics : Pccp. 16: 4720-7. PMID 24468980 DOI: 10.1039/C3Cp54822H  0.484
2014 Yan J, Nørskov JK. Publisher's Note: Calculated formation and reaction energies of 3d transition metal oxides using a hierarchy of exchange-correlation functionals [Phys. Rev. B 88, 245204 (2013)] Physical Review B. 89: 119905. DOI: 10.1103/Physrevb.89.119905  0.364
2014 Xin H, Vojvodic A, Voss J, Nørskov JK, Abild-Pedersen F. Effects of d -band shape on the surface reactivity of transition-metal alloys Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.115114  0.329
2014 Varley JB, Viswanathan V, Nørskov JK, Luntz AC. Lithium and oxygen vacancies and their role in Li2O2 charge transport in Li-O2 batteries Energy and Environmental Science. 7: 720-727. DOI: 10.1039/C3Ee42446D  0.581
2014 Casalongue HGS, Benck JD, Tsai C, Karlsson RKB, Kaya S, Ng ML, Pettersson LGM, Abild-Pedersen F, Nørskov JK, Ogasawara H, Jaramillo TF, Nilsson A. Operando characterization of an amorphous molybdenum sulfide nanoparticle catalyst during the hydrogen evolution reaction Journal of Physical Chemistry C. 118: 29252-29259. DOI: 10.1021/Jp505394E  0.407
2014 Hansen HA, Viswanathan V, NØrskov JK. Unifying kinetic and thermodynamic analysis of 2 e- and 4 e - reduction of oxygen on metal surfaces Journal of Physical Chemistry C. 118: 6706-6718. DOI: 10.1021/Jp4100608  0.705
2014 Yoo JS, Abild-Pedersen F, Nørskov JK, Studt F. Theoretical analysis of transition-metal catalysts for formic acid decomposition Acs Catalysis. 4: 1226-1233. DOI: 10.1021/Cs400664Z  0.469
2014 Brogaard RY, Henry R, Schuurman Y, Medford AJ, Moses PG, Beato P, Svelle S, Nørskov JK, Olsbye U. Methanol-to-hydrocarbons conversion: The alkene methylation pathway Journal of Catalysis. 314: 159-169. DOI: 10.1016/J.Jcat.2014.04.006  0.353
2014 Medford AJ, Sehested J, Rossmeisl J, Chorkendorff I, Studt F, Nørskov JK, Moses PG. Thermochemistry and micro-kinetic analysis of methanol synthesis on ZnO (0 0 0 1) Journal of Catalysis. 309: 397-407. DOI: 10.1016/J.Jcat.2013.10.015  0.414
2014 Vojvodic A, Medford AJ, Studt F, Abild-Pedersen F, Khan TS, Bligaard T, Nørskov JK. Exploring the limits: A low-pressure, low-temperature Haber-Bosch process Chemical Physics Letters. 598: 108-112. DOI: 10.1016/J.Cplett.2014.03.003  0.397
2014 Johansson TP, Ulrikkeholm ET, Hernandez-Fernandez P, Malacrida P, Hansen HA, Bandarenka AS, Nørskov JK, Rossmeisl J, Stephens IEL, Chorkendorff I. Pt skin versus Pt skeleton structures of Pt3Sc as electrocatalysts for oxygen reduction Topics in Catalysis. 57: 245-254. DOI: 10.1007/S11244-013-0179-Y  0.387
2014 Medford AJ, Lausche AC, Abild-Pedersen F, Temel B, Schjødt NC, Nørskov JK, Studt F. Activity and selectivity trends in synthesis gas conversion to higher alcohols Topics in Catalysis. 57: 135-142. DOI: 10.1007/S11244-013-0169-0  0.385
2014 Vojvodic A, Nørskov JK, Abild-Pedersen F. Electronic structure effects in transition metal surface chemistry Topics in Catalysis. 57: 25-32. DOI: 10.1007/S11244-013-0159-2  0.391
2014 Moses PG, Grabow LC, Fernandez EM, Hinnemann B, Topsøe H, Knudsen KG, Nørskov JK. Trends in hydrodesulfurization catalysis based on realistic surface models Catalysis Letters. 144: 1425-1432. DOI: 10.1007/S10562-014-1279-4  0.689
2014 Chan K, Tsai C, Hansen HA, Nørskov JK. Inside Back Cover: Molybdenum Sulfides and Selenides as Possible Electrocatalysts for CO2Reduction (ChemCatChem 7/2014) Chemcatchem. 6: 2149-2149. DOI: 10.1002/Cctc.201490045  0.312
2014 Chan K, Tsai C, Hansen HA, Nørskov JK. Molybdenum sulfides and selenides as possible electrocatalysts for CO 2 reduction Chemcatchem. 6: 1899-1905. DOI: 10.1002/Cctc.201402128  0.449
2013 Li L, Larsen AH, Romero NA, Morozov VA, Glinsvad C, Abild-Pedersen F, Greeley J, Jacobsen KW, Nørskov JK. Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters. The Journal of Physical Chemistry Letters. 4: 222-6. PMID 26291235 DOI: 10.1021/Jz3018286  0.302
2013 Viswanathan V, Nørskov JK, Speidel A, Scheffler R, Gowda S, Luntz AC. Li-O2 Kinetic Overpotentials: Tafel Plots from Experiment and First-Principles Theory. The Journal of Physical Chemistry Letters. 4: 556-60. PMID 26281865 DOI: 10.1021/Jz400019Y  0.605
2013 Hansen HA, Varley JB, Peterson AA, Nørskov JK. Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO. The Journal of Physical Chemistry Letters. 4: 388-92. PMID 26281729 DOI: 10.1021/Jz3021155  0.658
2013 Bajdich M, García-Mota M, Vojvodic A, Nørskov JK, Bell AT. Theoretical investigation of the activity of cobalt oxides for the electrochemical oxidation of water. Journal of the American Chemical Society. 135: 13521-30. PMID 23944254 DOI: 10.1021/Ja405997S  0.557
2013 Shi C, O'Grady CP, Peterson AA, Hansen HA, Nørskov JK. Modeling CO2 reduction on Pt(111). Physical Chemistry Chemical Physics : Pccp. 15: 7114-22. PMID 23552398 DOI: 10.1039/C3Cp50645B  0.637
2013 Siahrostami S, Tripković V, Lundgaard KT, Jensen KE, Hansen HA, Hummelshøj JS, Mýrdal JS, Vegge T, Nørskov JK, Rossmeisl J. First principles investigation of zinc-anode dissolution in zinc-air batteries. Physical Chemistry Chemical Physics : Pccp. 15: 6416-21. PMID 23525197 DOI: 10.1039/C3Cp50349F  0.4
2013 Dell'Angela M, Anniyev T, Beye M, Coffee R, Föhlisch A, Gladh J, Katayama T, Kaya S, Krupin O, LaRue J, Møgelhøj A, Nordlund D, Nørskov JK, Oberg H, Ogasawara H, et al. Real-time observation of surface bond breaking with an x-ray laser. Science (New York, N.Y.). 339: 1302-5. PMID 23493709 DOI: 10.1126/Science.1231711  0.33
2013 Hummelshøj JS, Luntz AC, Nørskov JK. Theoretical evidence for low kinetic overpotentials in Li-O2 electrochemistry Journal of Chemical Physics. 138. PMID 23343289 DOI: 10.1063/1.4773242  0.321
2013 Yan J, Nørskov JK. Calculated formation and reaction energies of 3 d transition metal oxides using a hierachy of exchange-correlation functionals Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.245204  0.375
2013 Yan J, Hummelshøj JS, Nørskov JK. Formation energies of group i and II metal oxides using random phase approximation Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.075207  0.303
2013 Xu Y, Lausche AC, Wang S, Khan TS, Abild-Pedersen F, Studt F, Nørskov JK, Bligaard T. In silico search for novel methane steam reforming catalysts New Journal of Physics. 15. DOI: 10.1088/1367-2630/15/12/125021  0.432
2013 Casalongue HS, Kaya S, Viswanathan V, Miller DJ, Friebel D, Hansen HA, Nørskov JK, Nilsson A, Ogasawara H. Direct observation of the oxygenated species during oxygen reduction on a platinum fuel cell cathode Nature Communications. 4. DOI: 10.1038/Ncomms3817  0.613
2013 Luntz AC, Viswanathan V, Voss J, Varley JB, Nørskov JK, Scheffler R, Speidel A. Tunneling and polaron charge transport through Li2O2 in Li-O2 batteries Journal of Physical Chemistry Letters. 4: 3494-3499. DOI: 10.1021/Jz401926F  0.587
2013 Hansen HA, Varley JB, Peterson AA, Nørskov JK. Understanding trends in the electrocatalytic activity of metals and enzymes for CO2 reduction to CO Journal of Physical Chemistry Letters. 4: 388-392. DOI: 10.1021/jz3021155  0.55
2013 Abild-Pedersen F, Nilsson A, Nørskov JK. Comment on "using photoelectron spectroscopy and quantum mechanics to determine D-band energies of metals for catalytic applications" Journal of Physical Chemistry C. 117: 6914-6915. DOI: 10.1021/Jp312595P  0.313
2013 García-Mota M, Vojvodic A, Abild-Pedersen F, Nørskov JK. Electronic origin of the surface reactivity of transition-metal-doped TiO2(110) Journal of Physical Chemistry C. 117: 460-465. DOI: 10.1021/Jp310667R  0.395
2013 Varley JB, Hansen HA, Ammitzbøll NL, Grabow LC, Peterson AA, Rossmeisl J, Nørskov JK. Ni-Fe-S cubanes in CO2 reduction electrocatalysis: A DFT study Acs Catalysis. 3: 2640-2643. DOI: 10.1021/Cs4005419  0.748
2013 Moses PG, Nørskov JK. Methanol to dimethyl ether over ZSM-22: A periodic density functional theory study Acs Catalysis. 3: 735-745. DOI: 10.1021/Cs300722W  0.339
2013 Lausche AC, Abild-Pedersen F, Madix RJ, Nørskov JK, Studt F. Analysis of sulfur-induced selectivity changes for anhydrous methanol dehydrogenation on Ni(100) surfaces Surface Science. 613: 58-62. DOI: 10.1016/J.Susc.2013.03.004  0.427
2013 Lausche AC, Medford AJ, Khan TS, Xu Y, Bligaard T, Abild-Pedersen F, Nørskov JK, Studt F. On the effect of coverage-dependent adsorbate-adsorbate interactions for CO methanation on transition metal surfaces Journal of Catalysis. 307: 275-282. DOI: 10.1016/J.Jcat.2013.08.002  0.431
2013 Brogaard RY, Weckhuysen BM, Nørskov JK. Guest-host interactions of arenes in H-ZSM-5 and their impact on methanol-to-hydrocarbons deactivation processes Journal of Catalysis. 300: 235-241. DOI: 10.1016/J.Jcat.2013.01.009  0.364
2013 Hansen HA, Montoya JH, Zhang YJ, Shi C, Peterson AA, Nørskov JK. Electroreduction of methanediol on copper Catalysis Letters. 143: 631-635. DOI: 10.1007/S10562-013-1023-5  0.602
2013 Studt F, Abild-Pedersen F, Varley JB, Nørskov JK. CO and CO2 hydrogenation to methanol calculated using the BEEF-vdW functional Catalysis Letters. 143: 71-73. DOI: 10.1007/S10562-012-0947-5  0.348
2013 Montoya JH, Peterson AA, Nørskov JK. Insights into C-C Coupling in CO2 Electroreduction on Copper Electrodes Chemcatchem. 5: 737-742. DOI: 10.1002/Cctc.201200564  0.544
2012 Viswanathan V, Hansen HA, Rossmeisl J, Nørskov JK. Unifying the 2e(-) and 4e(-) Reduction of Oxygen on Metal Surfaces. The Journal of Physical Chemistry Letters. 3: 2948-51. PMID 26292231 DOI: 10.1021/Jz301476W  0.651
2012 McCloskey BD, Speidel A, Scheffler R, Miller DC, Viswanathan V, Hummelshøj JS, Nørskov JK, Luntz AC. Twin Problems of Interfacial Carbonate Formation in Nonaqueous Li-O2 Batteries. The Journal of Physical Chemistry Letters. 3: 997-1001. PMID 26286562 DOI: 10.1021/Jz300243R  0.606
2012 Su HY, Gorlin Y, Man IC, Calle-Vallejo F, Nørskov JK, Jaramillo TF, Rossmeisl J. Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis. Physical Chemistry Chemical Physics : Pccp. 14: 14010-22. PMID 22990481 DOI: 10.1039/C2Cp40841D  0.477
2012 Friebel D, Viswanathan V, Miller DJ, Anniyev T, Ogasawara H, Larsen AH, O'Grady CP, Nørskov JK, Nilsson A. Balance of nanostructure and bimetallic interactions in Pt model fuel cell catalysts: in situ XAS and DFT study. Journal of the American Chemical Society. 134: 9664-71. PMID 22616917 DOI: 10.1021/Ja3003765  0.612
2012 Hummelshøj JS, Abild-Pedersen F, Studt F, Bligaard T, Nørskov JK. CatApp: a web application for surface chemistry and heterogeneous catalysis. Angewandte Chemie (International Ed. in English). 51: 272-4. PMID 22162297 DOI: 10.1002/Anie.201107947  0.448
2012 Skúlason E, Bligaard T, Gudmundsdóttir S, Studt F, Rossmeisl J, Abild-Pedersen F, Vegge T, Jónsson H, Nørskov JK. A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction. Physical Chemistry Chemical Physics : Pccp. 14: 1235-45. PMID 22146855 DOI: 10.1039/C1Cp22271F  0.366
2012 Skúlason E, Bligaard T, Gudmundsdóttir S, Studt F, Rossmeisl J, Abild-Pedersen F, Vegge T, Jónsson H, Nørskov JK. A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction. Physical Chemistry Chemical Physics : Pccp. 14: 1235-45. PMID 22146855 DOI: 10.1039/C1Cp22271F  0.366
2012 Valdés Á, Brillet J, Grätzel M, Gudmundsdóttir H, Hansen HA, Jónsson H, Klüpfel P, Kroes GJ, Le Formal F, Man IC, Martins RS, Nørskov JK, Rossmeisl J, Sivula K, Vojvodic A, et al. Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory. Physical Chemistry Chemical Physics : Pccp. 14: 49-70. PMID 22083224 DOI: 10.1039/C1Cp23212F  0.391
2012 Tang W, Peterson AA, Varela AS, Jovanov ZP, Bech L, Durand WJ, Dahl S, Nørskov JK, Chorkendorff I. The importance of surface morphology in controlling the selectivity of polycrystalline copper for CO2 electroreduction. Physical Chemistry Chemical Physics : Pccp. 14: 76-81. PMID 22071504 DOI: 10.1039/C1Cp22700A  0.608
2012 Viswanathan V, Hansen HA, Rossmeisl J, Nørskov JK. Unifying the 2e - and 4e - reduction of oxygen on metal surfaces Journal of Physical Chemistry Letters. 3: 2948-2951. DOI: 10.1021/jz301476w  0.572
2012 McCloskey BD, Speidel A, Scheffler R, Miller DC, Viswanathan V, Hummelshøj JS, Nørskov JK, Luntz AC. Twin problems of interfacial carbonate formation in nonaqueous Li-O 2 batteries Journal of Physical Chemistry Letters. 3: 997-1001. DOI: 10.1021/jz300243r  0.521
2012 Peterson AA, Nørskov JK. Activity descriptors for CO 2 electroreduction to methane on transition-metal catalysts Journal of Physical Chemistry Letters. 3: 251-258. DOI: 10.1021/Jz201461P  0.663
2012 Karp EM, Campbell CT, Studt F, Abild-Pedersen F, Norskov JK. Energetics of oxygen adatoms, hydroxyl species and water dissociation on Pt(111) Journal of Physical Chemistry C. 116: 25772-25776. DOI: 10.1021/Jp3066794  0.335
2012 García-Mota M, Bajdich M, Viswanathan V, Vojvodic A, Bell AT, Nørskov JK. Importance of correlation in determining electrocatalytic oxygen evolution activity on cobalt oxides Journal of Physical Chemistry C. 116: 21077-21082. DOI: 10.1021/Jp306303Y  0.703
2012 Viswanathan V, Hansen HA, Rossmeisl J, Jaramillo TF, Pitsch H, Nørskov JK. Simulating linear sweep voltammetry from first-principles: Application to electrochemical oxidation of water on Pt(111) and Pt 3Ni(111) Journal of Physical Chemistry C. 116: 4698-4704. DOI: 10.1021/Jp210802Q  0.651
2012 Viswanathan V, Hansen HA, Rossmeisl J, Nørskov JK. Universality in oxygen reduction electrocatalysis on metal surfaces Acs Catalysis. 2: 1654-1660. DOI: 10.1021/Cs300227S  0.67
2012 Medford AJ, Vojvodic A, Studt F, Abild-Pedersen F, Nørskov JK. Corrigendum to “Elementary steps of syngas reactions on Mo2C(0 0 1): Adsorption thermochemistry and bond dissociation” [J. Catal. 290 (2012) 108–117] Journal of Catalysis. 296: 175. DOI: 10.1016/J.Jcat.2012.09.009  0.32
2012 Studt F, Abild-Pedersen F, Wu Q, Jensen AD, Temel B, Grunwaldt JD, Norskov JK. CO hydrogenation to methanol on Cu-Ni catalysts: Theory and experiment Journal of Catalysis. 293: 51-60. DOI: 10.1016/J.Jcat.2012.06.004  0.467
2012 Lausche AC, Hummelshoj JS, Abild-Pedersen F, Studt F, Norskov JK. Application of a new informatics tool in heterogeneous catalysis: Analysis of methanol dehydrogenation on transition metal catalysts for the production of anhydrous formaldehyde Journal of Catalysis. 291: 133-137. DOI: 10.1016/J.Jcat.2012.04.017  0.423
2012 Medford AJ, Vojvodic A, Studt F, Abild-Pedersen F, Nørskov JK. Elementary Steps of Syngas Reactions on Mo2C(001): Adsorption Thermochemistry and Bond Dissociation Journal of Catalysis. 290: 108-117. DOI: 10.1016/J.Jcat.2012.03.007  0.436
2012 Peterson AA, Grabow LC, Brennan TP, Shong B, Ooi C, Wu DM, Li CW, Kushwaha A, Medford AJ, Mbuga F, Li L, Nørskov JK. Finite-size effects in O and CO adsorption for the late transition metals Topics in Catalysis. 55: 1276-1282. DOI: 10.1007/S11244-012-9908-X  0.759
2012 Grabow LC, Hvolbæk B, Falsig H, Nørskov JK. Search directions for direct H 2O 2 synthesis catalysts starting from Au 12 nanoclusters Topics in Catalysis. 55: 336-344. DOI: 10.1007/S11244-012-9798-Y  0.689
2012 Brogaard RY, Moses PG, Nørskov JK. Modeling van der Waals interactions in zeolites with periodic DFT: Physisorption of n-Alkanes in ZSM-22 Catalysis Letters. 142: 1057-1060. DOI: 10.1007/S10562-012-0870-9  0.356
2012 Peterson AA, Dreher M, Wambach J, Nachtegaal M, Dahl S, Nørskov JK, Vogel F. Evidence of Scrambling over Ruthenium-based Catalysts in Supercritical-water Gasification Chemcatchem. 4: 1185-1189. DOI: 10.1002/Cctc.201100450  0.625
2011 Vojvodic A, Nørskov JK. Chemistry. Optimizing perovskites for the water-splitting reaction. Science (New York, N.Y.). 334: 1355-6. PMID 22158809 DOI: 10.1126/Science.1215081  0.426
2011 Viswanathan V, Thygesen KS, Hummelshøj JS, Nørskov JK, Girishkumar G, McCloskey BD, Luntz AC. Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteries. The Journal of Chemical Physics. 135: 214704. PMID 22149808 DOI: 10.1063/1.3663385  0.589
2011 Wang S, Petzold V, Tripkovic V, Kleis J, Howalt JG, Skúlason E, Fernández EM, Hvolbæk B, Jones G, Toftelund A, Falsig H, Björketun M, Studt F, Abild-Pedersen F, Rossmeisl J, et al. Universal transition state scaling relations for (de)hydrogenation over transition metals. Physical Chemistry Chemical Physics : Pccp. 13: 20760-5. PMID 21996683 DOI: 10.1039/C1Cp20547A  0.377
2011 Churchard AJ, Banach E, Borgschulte A, Caputo R, Chen JC, Clary D, Fijalkowski KJ, Geerlings H, Genova RV, Grochala W, Jaro? T, Juanes-Marcos JC, Kasemo B, Kroes GJ, Ljubi? I, et al. A multifaceted approach to hydrogen storage. Physical Chemistry Chemical Physics : Pccp. 13: 16955-72. PMID 21887432 DOI: 10.1039/C1Cp22312G  0.365
2011 Møgelhøj A, Kelkkanen AK, Wikfeldt KT, Schiøtz J, Mortensen JJ, Pettersson LG, Lundqvist BI, Jacobsen KW, Nilsson A, Nørskov JK. Ab initio van der waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like. The Journal of Physical Chemistry. B. 115: 14149-60. PMID 21806000 DOI: 10.1021/Jp2040345  0.58
2011 Vojvodic A, Calle-Vallejo F, Guo W, Wang S, Toftelund A, Studt F, Martínez JI, Shen J, Man IC, Rossmeisl J, Bligaard T, Nørskov JK, Abild-Pedersen F. On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides. Journal of Chemical Physics. 134: 244509-244509. PMID 21721645 DOI: 10.1063/1.3602323  0.381
2011 Hou Y, Abrams BL, Vesborg PCK, Björketun ME, Herbst K, Bech L, Setti AM, Damsgaard CD, Pedersen T, Hansen O, Rossmeisl J, Dahl S, Nørskov JK, Chorkendorff I. Bioinspired molecular co-catalysts bonded to a silicon photocathode for solar hydrogen evolution Nature Materials. 10: 434-438. PMID 21516095 DOI: 10.1038/Nmat3008  0.376
2011 Grabow LC, Studt F, Abild-Pedersen F, Petzold V, Kleis J, Bligaard T, Nørskov JK. Descriptor-based analysis applied to HCN synthesis from NH3 and CH4 Angewandte Chemie - International Edition. 50: 4601-4605. PMID 21500324 DOI: 10.1002/Ange.201100353  0.694
2011 Bondarenko AS, Stephens IE, Hansen HA, Pérez-Alonso FJ, Tripkovic V, Johansson TP, Rossmeisl J, Nørskov JK, Chorkendorff I. The Pt(111)/electrolyte interface under oxygen reduction reaction conditions: an electrochemical impedance spectroscopy study. Langmuir : the Acs Journal of Surfaces and Colloids. 27: 2058-66. PMID 21244087 DOI: 10.1021/La1042475  0.421
2011 Nørskov JK, Abild-Pedersen F, Studt F, Bligaard T. Density functional theory in surface chemistry and catalysis. Proceedings of the National Academy of Sciences of the United States of America. 108: 937-43. PMID 21220337 DOI: 10.1073/Pnas.1006652108  0.412
2011 Larsen AH, Kleis J, Thygesen KS, Nørskov JK, Jacobsen KW. Electronic shell structure and chemisorption on gold nanoparticles Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.245429  0.309
2011 Kelkkanen AK, Lundqvist BI, Nørskov JK. Van der Waals effect in weak adsorption affecting trends in adsorption, reactivity, and the view of substrate nobility Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.113401  0.603
2011 Mowbray DJ, Martínez JI, Calle-Vallejo F, Rossmeisl J, Thygesen KS, Jacobsen KW, Nørskov JK. Trends in metal oxide stability for nanorods, nanotubes, and surfaces Journal of Physical Chemistry C. 115: 2244-2252. DOI: 10.1021/Jp110489U  0.407
2011 Durand WJ, Peterson AA, Studt F, Abild-Pedersen F, Nørskov JK. Structure effects on the energetics of the electrochemical reduction of CO2 by copper surfaces Surface Science. 605: 1354-1359. DOI: 10.1016/J.Susc.2011.04.028  0.63
2011 Saadi S, Hinnemann B, Appel CC, Helveg S, Abild-Pedersen F, Nørskov JK. First-principles investigations of Ni3Al(111) and NiAl(110) surfaces at metal dusting conditions Surface Science. 605: 582-592. DOI: 10.1016/J.Susc.2010.12.023  0.393
2011 Tritsaris GA, Nørskov JK, Rossmeisl J. Trends in oxygen reduction and methanol activation on transition metal chalcogenides Electrochimica Acta. 56: 9783-9788. DOI: 10.1016/J.Electacta.2011.08.045  0.787
2011 Jones G, Studt F, Abild-Pedersen F, Nørskov JK, Bligaard T. Scaling relationships for adsorption energies of C2 hydrocarbons on transition metal surfaces Chemical Engineering Science. 66: 6318-6323. DOI: 10.1016/J.Ces.2011.02.050  0.432
2011 Chen J, Hummelshøj JS, Thygesen KS, Myrdal JSG, Nørskov JK, Vegge T. The role of transition metal interfaces on the electronic transport in lithium-air batteries Catalysis Today. 165: 2-9. DOI: 10.1016/J.Cattod.2010.12.022  0.379
2011 Tritsaris GA, Greeley J, Rossmeisl J, Nørskov JK. Atomic-scale modeling of particle size effects for the oxygen reduction reaction on Pt Catalysis Letters. 141: 909-913. DOI: 10.1007/S10562-011-0637-8  0.74
2011 Kleis J, Greeley J, Romero NA, Morozov VA, Falsig H, Larsen AH, Lu J, Mortensen JJ, Du?ak M, Thygesen KS, Nørskov JK, Jacobsen KW. Finite size effects in chemical bonding: From small clusters to solids Catalysis Letters. 141: 1067-1071. DOI: 10.1007/S10562-011-0632-0  0.325
2011 Wang S, Temel B, Shen J, Jones G, Grabow LC, Studt F, Bligaard T, Abild-Pedersen F, Christensen CH, Nørskov JK. Universal Brønsted-Evans-Polanyi relations for C-C, C-O, C-N, N-O, N-N, and O-O dissociation reactions Catalysis Letters. 141: 370-373. DOI: 10.1007/S10562-010-0477-Y  0.652
2011 Man IC, Su H, Calle‐Vallejo F, Hansen HA, Martínez JI, Inoglu NG, Kitchin J, Jaramillo TF, Nørskov JK, Rossmeisl J. Cover Picture: Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces (ChemCatChem 7/2011) Chemcatchem. 3: 1085-1085. DOI: 10.1002/Cctc.201190027  0.326
2011 García-Mota M, Vojvodic A, Metiu H, Man IC, Su HY, Rossmeisl J, Nørskov JK. Tailoring the activity for oxygen evolution electrocatalysis on rutile TiO2(110) by transition-metal substitution Chemcatchem. 3: 1607-1611. DOI: 10.1002/Cctc.201100160  0.396
2011 Man IC, Su HY, Calle-Vallejo F, Hansen HA, Martínez JI, Inoglu NG, Kitchin J, Jaramillo TF, Nørskov JK, Rossmeisl J. Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces Chemcatchem. 3: 1159-1165. DOI: 10.1002/Cctc.201000397  0.451
2010 Enkovaara J, Rostgaard C, Mortensen JJ, Chen J, Du?ak M, Ferrighi L, Gavnholt J, Glinsvad C, Haikola V, Hansen HA, Kristoffersen HH, Kuisma M, Larsen AH, Lehtovaara L, Ljungberg M, et al. Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 253202. PMID 21393795 DOI: 10.1088/0953-8984/22/25/253202  0.72
2010 Hirvi JT, Kinnunen TJ, Suvanto M, Pakkanen TA, Nørskov JK. CO oxidation on PdO surfaces. The Journal of Chemical Physics. 133: 084704. PMID 20815587 DOI: 10.1063/1.3464481  0.452
2010 Kjaergaard CH, Rossmeisl J, Nørskov JK. Enzymatic versus inorganic oxygen reduction catalysts: comparison of the energy levels in a free-energy scheme. Inorganic Chemistry. 49: 3567-72. PMID 20380458 DOI: 10.1021/Ic900798Q  0.382
2010 Hummelshøj JS, Blomqvist J, Datta S, Vegge T, Rossmeisl J, Thygesen KS, Luntz AC, Jacobsen KW, Nørskov JK. Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery. The Journal of Chemical Physics. 132: 071101. PMID 20170208 DOI: 10.1063/1.3298994  0.347
2010 Christensen CH, Nørskov JK. Chemistry. Green gold catalysis. Science (New York, N.Y.). 327: 278-9. PMID 20075237 DOI: 10.1126/Science.1184203  0.322
2010 Peterson AA, Abild-Pedersen F, Studt F, Rossmeisl J, Nørskov JK. How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels Energy and Environmental Science. 3: 1311-1315. DOI: 10.1039/C0Ee00071J  0.599
2010 Tekin A, Hummelshøj JS, Jacobsen HS, Sveinbjörnsson D, Blanchard D, Nørskov JK, Vegge T. Ammonia dynamics in magnesium ammine from DFT and neutron scattering Energy and Environmental Science. 3: 448-456. DOI: 10.1039/B921442A  0.373
2010 Skúlason E, Tripkovic V, Björketun ME, Gudmundsdóttir S, Karlberg G, Rossmeisl J, Bligaard T, Jónsson H, Nørskov JK. Modeling the electrochemical hydrogen oxidation and evolution reactions on the basis of density functional theory calculations Journal of Physical Chemistry C. 114: 18182-18197. DOI: 10.1021/Jp1048887  0.467
2010 Saadi S, Abild-Pedersen F, Helveg S, Sehested J, Hinnemann B, Appel CC, Nørskov JK. On the role of metal step-edges in graphene growth Journal of Physical Chemistry C. 114: 11221-11227. DOI: 10.1021/Jp1033596  0.311
2010 Tripković V, Skúlason E, Siahrostami S, Nørskov JK, Rossmeisl J. The oxygen reduction reaction mechanism on Pt(1 1 1) from density functional theory calculations Electrochimica Acta. 55: 7975-7981. DOI: 10.1016/J.Electacta.2010.02.056  0.423
2010 Grabow LC, Hvolbæk B, Nørskov JK. Understanding trends in catalytic activity: The effect of adsorbate-adsorbate interactions for Co oxidation over transition metals Topics in Catalysis. 53: 298-310. DOI: 10.1007/S11244-010-9455-2  0.687
2010 Vendelbo SB, Johansson M, Mowbray DJ, Andersson MP, Abild-Pedersen F, Nielsen JH, Nørskov JK, Chorkendorff I. Self blocking of CO dissociation on a stepped ruthenium surface Topics in Catalysis. 53: 357-364. DOI: 10.1007/S11244-010-9445-4  0.391
2010 Topsøe H, Clausen BS, Topsøe N, Nørskov JK, Ovesen CV, Jacobsen CJH. The Bond Energy Model for Hydrotreating Reactions: Theoretical and Experimental Aspects Bulletin Des SociéTéS Chimiques Belges. 104: 283-291. DOI: 10.1002/Bscb.19951040415  0.412
2009 Nørskov JK, Bligaard T, Rossmeisl J, Christensen CH. Towards the computational design of solid catalysts. Nature Chemistry. 1: 37-46. PMID 21378799 DOI: 10.1038/Nchem.121  0.424
2009 Nørskov JK, Abild-Pedersen F. Catalysis: Bond control in surface reactions. Nature. 461: 1223-5. PMID 19865160 DOI: 10.1038/4611223A  0.338
2009 Kelkkanen AK, Lundqvist BI, Nørskov JK. Density functional for van der Waals forces accounts for hydrogen bond in benchmark set of water hexamers. The Journal of Chemical Physics. 131: 046102. PMID 19655929 DOI: 10.1063/1.3193462  0.589
2009 Hummelshøj JS, Landis DD, Voss J, Jiang T, Tekin A, Bork N, Du?ak M, Mortensen JJ, Adamska L, Andersin J, Baran JD, Barmparis GD, Bell F, Bezanilla AL, Bjork J, et al. Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project. The Journal of Chemical Physics. 131: 014101. PMID 19586090 DOI: 10.1063/1.3148892  0.794
2009 Nørskov JK, Bligaard T, Kleis J. Chemistry. Rate control and reaction engineering. Science (New York, N.Y.). 324: 1655-6. PMID 19556493 DOI: 10.1126/Science.1174885  0.328
2009 Ferrin P, Simonetti D, Kandoi S, Kunkes E, Dumesic JA, Nørskov JK, Mavrikakis M. Modeling ethanol decomposition on transition metals: a combined application of scaling and Brønsted-Evans-Polanyi relations. Journal of the American Chemical Society. 131: 5809-15. PMID 19334787 DOI: 10.1021/Ja8099322  0.563
2009 Moses PG, Mortensen JJ, Lundqvist BI, Norskov JK. Density functional study of the adsorption and van der Waals binding of aromatic and conjugated compounds on the basal plane of MoS(2). The Journal of Chemical Physics. 130: 104709. PMID 19292551 DOI: 10.1063/1.3086040  0.608
2009 Vojvodic A, Hinnemann B, Nørskov JK. Magnetic edge states in MoS2 characterized using density-functional theory Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.125416  0.31
2009 Martínez JI, Hansen HA, Rossmeisl J, Nørskov JK. Formation energies of rutile metal dioxides using density functional theory Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.045120  0.41
2009 Kelkkanen AK, Lundqvist BI, Nørskov JK. Density functional for van der Waals forces accounts for hydrogen bond in benchmark set of water hexamers Journal of Chemical Physics. 131. DOI: 10.1063/1.3193462  0.513
2009 Rempel J, Greeley J, Hansen LB, Nielsen OH, Nørskov JK, Mavrikakis M. Step effects on the dissociation of NO on close-packed rhodium surfaces Journal of Physical Chemistry C. 113: 20623-20631. DOI: 10.1021/Jp904108C  0.588
2009 Jiang T, Mowbray DJ, Dobrin S, Falsig H, Hvolbœk B, Bligaard T, Nørskov JK. Trends in CO oxidation rates for metal nanoparticles and close-packed, stepped, and kinked surfaces Journal of Physical Chemistry C. 113: 10548-10553. DOI: 10.1021/Jp811185G  0.41
2009 Greeley J, Nørskov JK. Combinatorial density functional theory-based screening of surface alloys for the oxygen reduction reaction Journal of Physical Chemistry C. 113: 4932-4939. DOI: 10.1021/Jp808945Y  0.427
2009 Saadi S, Hinnemann B, Helveg S, Appel CC, Abild-Pedersen F, Nørskov JK. First-principles investigations of the Ni3Sn alloy at steam reforming conditions Surface Science. 603: 762-770. DOI: 10.1016/J.Susc.2009.01.018  0.385
2009 Hellman A, Honkala K, Remediakis IN, Logadóttir A, Carlsson A, Dahl S, Christensen CH, Nørskov JK. Ammonia synthesis and decomposition on a Ru-based catalyst modeled by first-principles Surface Science. 603: 1731-1739. DOI: 10.1016/J.Susc.2008.10.059  0.749
2009 Moses PG, Hinnemann B, Topsøe H, Nørskov JK. The effect of Co-promotion on MoS2 catalysts for hydrodesulfurization of thiophene: A density functional study Journal of Catalysis. 268: 201-208. DOI: 10.1016/J.Jcat.2009.09.016  0.404
2008 Jones G, Bligaard T, Abild-Pedersen F, Nørskov JK. Using scaling relations to understand trends in the catalytic activity of transition metals. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 20: 064239. PMID 21693900 DOI: 10.1088/0953-8984/20/6/064239  0.42
2008 Hinnemann B, Moses PG, Nørskov JK. Recent density functional studies of hydrodesulfurization catalysts: insight into structure and mechanism. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 20: 064236. PMID 21693897 DOI: 10.1088/0953-8984/20/6/064236  0.413
2008 Studt F, Abild-Pedersen F, Bligaard T, Sørensen RZ, Christensen CH, Nørskov JK. On the role of surface modifications of palladium catalysts in the selective hydrogenation of acetylene. Angewandte Chemie (International Ed. in English). 47: 9299-302. PMID 18833559 DOI: 10.1002/Anie.200802844  0.374
2008 Nørskov JK, Bligaard T, Hvolbaek B, Abild-Pedersen F, Chorkendorff I, Christensen CH. The nature of the active site in heterogeneous metal catalysis. Chemical Society Reviews. 37: 2163-71. PMID 18818819 DOI: 10.1039/B800260F  0.378
2008 Munter TR, Bligaard T, Christensen CH, Nørskov JK. BEP relations for N2 dissociation over stepped transition metal and alloy surfaces. Physical Chemistry Chemical Physics : Pccp. 10: 5202-6. PMID 18728861 DOI: 10.1039/B720021H  0.433
2008 Hansen HA, Rossmeisl J, Nørskov JK. Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT. Physical Chemistry Chemical Physics : Pccp. 10: 3722-30. PMID 18563233 DOI: 10.1039/B803956A  0.438
2008 Sørensen RZ, Hummelshøj JS, Klerke A, Reves JB, Vegge T, Nørskov JK, Christensen CH. Indirect, reversible high-density hydrogen storage in compact metal ammine salts. Journal of the American Chemical Society. 130: 8660-8. PMID 18549216 DOI: 10.1021/Ja076762C  0.356
2008 Studt F, Abild-Pedersen F, Bligaard T, Sørensen RZ, Christensen CH, Nørskov JK. Identification of non-precious metal alloy catalysts for selective hydrogenation of acetylene. Science (New York, N.Y.). 320: 1320-2. PMID 18535238 DOI: 10.1126/Science.1156660  0.426
2008 Christensen CH, Nørskov JK. A molecular view of heterogeneous catalysis. The Journal of Chemical Physics. 128: 182503. PMID 18532788 DOI: 10.1063/1.2839299  0.389
2008 Falsig H, Hvolbaek B, Kristensen IS, Jiang T, Bligaard T, Christensen CH, Nørskov JK. Trends in the catalytic CO oxidation activity of nanoparticles. Angewandte Chemie (International Ed. in English). 47: 4835-9. PMID 18496809 DOI: 10.1002/Anie.200801479  0.435
2008 Fernández EM, Moses PG, Toftelund A, Hansen HA, Martínez JI, Abild-Pedersen F, Kleis J, Hinnemann B, Rossmeisl J, Bligaard T, Nørskov JK. Scaling relationships for adsorption energies on transition metal oxide, sulfide, and nitride surfaces. Angewandte Chemie (International Ed. in English). 47: 4683-6. PMID 18484577 DOI: 10.1002/Anie.200705739  0.441
2008 Klerke A, Christensen CH, Nørskov JK, Vegge T. Ammonia for hydrogen storage: Challenges and opportunities Journal of Materials Chemistry. 18: 2304-2310. DOI: 10.1039/B720020J  0.33
2008 Valdés A, Qu ZW, Kroes GJ, Rossmeisl J, Nørskov JK. Oxidation and photo-oxidation of water on TiO2 surface Journal of Physical Chemistry C. 112: 9872-9879. DOI: 10.1021/Jp711929D  0.387
2008 Bligaard T, Nørskov JK, Lundqvist BI. Chapter 8 Understanding Heterogeneous Catalysis from the Fundamentals Handbook of Surface Science. 3: 269-340. DOI: 10.1016/S1573-4331(08)00008-5  0.492
2008 Rossmeisl J, Nørskov JK. Electrochemistry on the computer: Understanding how to tailor the metal overlayers for the oxygen reduction reaction Surface Science. 602: 2337-2338. DOI: 10.1016/J.Susc.2008.05.015  0.477
2008 Moses PG, Hinnemann B, Topsøe H, Nørskov JK. Corrigendum to "The hydrogenation and direct desulfurization reaction pathway in thiophene hydrodesulfurization over MoS2 catalysts at realistic conditions: A density functional study" [J. Catal. 248 (2007) 188] (DOI:10.1016/j.jcat.2007.02.028) Journal of Catalysis. 260: 202-203. DOI: 10.1016/J.Jcat.2008.09.008  0.377
2008 Jones G, Jakobsen JG, Shim SS, Kleis J, Andersson MP, Rossmeisl J, Abild-Pedersen F, Bligaard T, Helveg S, Hinnemann B, Rostrup-Nielsen JR, Chorkendorff I, Sehested J, Nørskov JK. First principles calculations and experimental insight into methane steam reforming over transition metal catalysts Journal of Catalysis. 259: 147-160. DOI: 10.1016/J.Jcat.2008.08.003  0.449
2008 Andersson MP, Abild-Pedersen F, Remediakis IN, Bligaard T, Jones G, Engbæk J, Lytken O, Horch S, Nielsen JH, Sehested J, Rostrup-Nielsen JR, Nørskov JK, Chorkendorff I. Structure sensitivity of the methanation reaction: H2-induced CO dissociation on nickel surfaces Journal of Catalysis. 255: 6-19. DOI: 10.1016/J.Jcat.2007.12.016  0.752
2008 Rossmeisl J, Skúlason E, Björketun ME, Tripkovic V, Nørskov JK. Modeling the electrified solid-liquid interface Chemical Physics Letters. 466: 68-71. DOI: 10.1016/J.Cplett.2008.10.024  0.375
2008 Besenbacher F, Brorson M, Clausen BS, Helveg S, Hinnemann B, Kibsgaard J, Lauritsen JV, Moses PG, Nørskov JK, Topsøe H. Recent STM, DFT and HAADF-STEM studies of sulfide-based hydrotreating catalysts: Insight into mechanistic, structural and particle size effects Catalysis Today. 130: 86-96. DOI: 10.1016/J.Cattod.2007.08.009  0.359
2007 Karlberg GS, Jaramillo TF, Skúlason E, Rossmeisl J, Bligaard T, Nørskov JK. Cyclic voltammograms for H on Pt(111) and Pt(100) from first principles. Physical Review Letters. 99: 126101. PMID 17930522 DOI: 10.1103/Physrevlett.99.126101  0.392
2007 Karlberg GS, Rossmeisl J, Nørskov JK. Estimations of electric field effects on the oxygen reduction reaction based on the density functional theory. Physical Chemistry Chemical Physics : Pccp. 9: 5158-61. PMID 17878993 DOI: 10.1039/B705938H  0.312
2007 Ruff M, Takehiro N, Liu P, Nørskov JK, Behm RJ. Size-specific chemistry on bimetallic surfaces: a combined experimental and theoretical study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 8: 2068-71. PMID 17806131 DOI: 10.1002/Cphc.200700070  0.325
2007 Abild-Pedersen F, Greeley J, Studt F, Rossmeisl J, Munter TR, Moses PG, Skúlason E, Bligaard T, Nørskov JK. Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces. Physical Review Letters. 99: 016105. PMID 17678168 DOI: 10.1103/Physrevlett.99.016105  0.4
2007 Skúlason E, Karlberg GS, Rossmeisl J, Bligaard T, Greeley J, Jónsson H, Nørskov JK. Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode. Physical Chemistry Chemical Physics : Pccp. 9: 3241-50. PMID 17579732 DOI: 10.1039/B700099E  0.425
2007 Falsig H, Bligaard T, Christensen CH, Nørskov JK. Direct NO decomposition over stepped transition-metal surfaces Pure and Applied Chemistry. 79: 1895-1903. DOI: 10.1351/Pac200779111895  0.435
2007 Rossmeisl J, Dimitrievski K, Siegbahn P, Nørskov JK. Comparing electrochemical and biological water splitting Journal of Physical Chemistry C. 111: 18821-18823. DOI: 10.1021/Jp077210J  0.428
2007 Hvolbæk B, Janssens TVW, Clausen BS, Falsig H, Christensen CH, Nørskov JK. Catalytic activity of Au nanoparticles Nano Today. 2: 14-18. DOI: 10.1016/S1748-0132(07)70113-5  0.339
2007 Greeley J, Nørskov JK. Large-scale, density functional theory-based screening of alloys for hydrogen evolution Surface Science. 601: 1590-1598. DOI: 10.1016/J.Susc.2007.01.037  0.454
2007 Rossmeisl J, Qu ZW, Zhu H, Kroes GJ, Nørskov JK. Electrolysis of water on oxide surfaces Journal of Electroanalytical Chemistry. 607: 83-89. DOI: 10.1016/J.Jelechem.2006.11.008  0.408
2007 Lauritsen JV, Kibsgaard J, Olesen GH, Moses PG, Hinnemann B, Helveg S, Nørskov JK, Clausen BS, Topsøe H, Lægsgaard E, Besenbacher F. Location and coordination of promoter atoms in Co- and Ni-promoted MoS2-based hydrotreating catalysts Journal of Catalysis. 249: 220-233. DOI: 10.1016/J.Jcat.2007.04.013  0.358
2007 Moses PG, Hinnemann B, Topsøe H, Nørskov JK. The hydrogenation and direct desulfurization reaction pathway in thiophene hydrodesulfurization over MoS2 catalysts at realistic conditions: A density functional study Journal of Catalysis. 248: 188-203. DOI: 10.1016/J.Jcat.2007.02.028  0.406
2007 Greeley J, Nørskov JK. Electrochemical dissolution of surface alloys in acids: Thermodynamic trends from first-principles calculations Electrochimica Acta. 52: 5829-5836. DOI: 10.1016/J.Electacta.2007.02.082  0.399
2007 Bligaard T, Nørskov J. Ligand effects in heterogeneous catalysis and electrochemistry Electrochimica Acta. 52: 5512-5516. DOI: 10.1016/J.Electacta.2007.02.041  0.343
2007 Kustov AL, Frey AM, Larsen KE, Johannessen T, Nørskov JK, Christensen CH. CO methanation over supported bimetallic Ni-Fe catalysts: From computational studies towards catalyst optimization Applied Catalysis a: General. 320: 98-104. DOI: 10.1016/J.Apcata.2006.12.017  0.373
2007 Janssens TVW, Clausen BS, Hvolbæk B, Falsig H, Christensen CH, Bligaard T, Nørskov JK. Insights into the reactivity of supported Au nanoparticles: Combining theory and experiments Topics in Catalysis. 44: 15-26. DOI: 10.1007/S11244-007-0335-3  0.389
2007 Falsig H, Bligaard T, Rass-Hansen J, Kustov AL, Christensen CH, Nørskov JK. Trends in catalytic NO decomposition over transition metal surfaces Topics in Catalysis. 45: 117-120. DOI: 10.1007/S11244-007-0250-7  0.434
2007 Sehested J, Larsen KE, Kustov AL, Frey AM, Johannessen T, Bligaard T, Andersson MP, Nørskov JK, Christensen CH. Discovery of technical methanation catalysts based on computational screening Topics in Catalysis. 45: 9-13. DOI: 10.1007/S11244-007-0232-9  0.377
2006 Rossmeisl J, Nørskov JK, Taylor CD, Janik MJ, Neurock M. Calculated phase diagrams for the electrochemical oxidation and reduction of water over Pt(111). The Journal of Physical Chemistry. B. 110: 21833-9. PMID 17064147 DOI: 10.1021/Jp0631735  0.399
2006 Greeley J, Jaramillo TF, Bonde J, Chorkendorff IB, Nørskov JK. Computational high-throughput screening of electrocatalytic materials for hydrogen evolution. Nature Materials. 5: 909-13. PMID 17041585 DOI: 10.1038/Nmat1752  0.386
2006 Díaz C, Vincent JK, Krishnamohan GP, Olsen RA, Kroes GJ, Honkala K, Norskov JK. Reactive and nonreactive scattering of N2 from Ru(0001): a six-dimensional adiabatic study. The Journal of Chemical Physics. 125: 114706. PMID 16999500 DOI: 10.1063/1.2229197  0.339
2006 Norskov JK, Christensen CH. Chemistry. Toward efficient hydrogen production at surfaces. Science (New York, N.Y.). 312: 1322-3. PMID 16741103 DOI: 10.1126/Science.1127180  0.372
2006 Díaz C, Vincent JK, Krishnamohan GP, Olsen RA, Kroes GJ, Honkala K, Nørskov JK. Multidimensional effects on dissociation of N2 on Ru(0001). Physical Review Letters. 96: 096102. PMID 16606281 DOI: 10.1103/Physrevlett.96.096102  0.394
2006 Stamenkovic V, Mun BS, Mayrhofer KJ, Ross PN, Markovic NM, Rossmeisl J, Greeley J, Nørskov JK. Changing the activity of electrocatalysts for oxygen reduction by tuning the surface electronic structure. Angewandte Chemie (International Ed. in English). 45: 2897-901. PMID 16596688 DOI: 10.1002/Anie.200504386  0.427
2006 van Harrevelt R, Honkala K, Nørskov JK, Manthe U. The effect of surface relaxation on the N2 dissociation rate on stepped Ru: a transition state theory study. The Journal of Chemical Physics. 124: 026102. PMID 16422654 DOI: 10.1063/1.2150827  0.39
2006 Bligaard T, Andersson MP, Jacobsen KW, Skriver HL, Christensen CH, Nørskov JK. Electronic-structure-based design of ordered alloys Mrs Bulletin. 31: 986-990. DOI: 10.1557/Mrs2006.225  0.355
2006 Nørskov J, Scheffler M, Toulhoat H. Density Functional Theory in Surface Science and Heterogeneous Catalysis Mrs Bulletin. 31: 669-674. DOI: 10.1557/Mrs2006.175  0.457
2006 Abild-Pedersen F, Nørskov JK, Rostrup-Nielsen J, Sehested J, Helveg S. Mechanisms for catalytic carbon nanofiber growth studied by ab initio density functional theory calculations Physical Review B. 73: 115419. DOI: 10.1103/Physrevb.73.115419  0.322
2006 Hellman A, Honkala K, Remediakis IN, Logadóttir A, Carlsson A, Dahl S, Christensen CH, Nørskov JK. Insights into ammonia synthesis from first-principles Surface Science. 600: 4264-4268. DOI: 10.1016/J.Susc.2005.11.070  0.727
2006 Vang RT, Honkala K, Dahl S, Vestergaard EK, Schnadt J, Lægsgaard E, Clausen BS, Nørskov JK, Besenbacher F. Ethylene dissociation on flat and stepped Ni(111): A combined STM and DFT study Surface Science. 600: 66-77. DOI: 10.1016/J.Susc.2005.10.006  0.413
2006 Andersson MP, Bligaard T, Kustov A, Larsen KE, Greeley J, Johannessen T, Christensen CH, Nørskov JK. Toward computational screening in heterogeneous catalysis: Pareto-optimal methanation catalysts Journal of Catalysis. 239: 501-506. DOI: 10.1016/J.Jcat.2006.02.016  0.394
2006 Logadóttir A, Moses PG, Hinnemann B, Topsøe NY, Knudsen KG, Topsøe H, Nørskov JK. A density functional study of inhibition of the HDS hydrogenation pathway by pyridine, benzene, and H2S on MoS2-based catalysts Catalysis Today. 111: 44-51. DOI: 10.1016/J.Cattod.2005.10.018  0.397
2006 Christensen CH, Johannessen T, Sørensen RZ, Nørskov JK. Towards an ammonia-mediated hydrogen economy? Catalysis Today. 111: 140-144. DOI: 10.1016/J.Cattod.2005.10.011  0.34
2006 Rostrup-Nielsen J, Nørskov JK. Step sites in syngas catalysis Topics in Catalysis. 40: 45-48. DOI: 10.1007/S11244-006-0107-5  0.407
2006 Hinnemann B, Nørskov JK. Catalysis by Enzymes: The Biological Ammonia Synthesis Topics in Catalysis. 37: 55-70. DOI: 10.1007/S11244-006-0002-0  0.327
2006 Stamenkovic V, Mun BS, Mayrhofer KJ, Ross PN, Markovic NM, Rossmeisl J, Greeley J, Nørskov JK. Cover Picture: Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure (Angew. Chem. Int. Ed. 18/2006) Angewandte Chemie International Edition. 45: 2815-2815. DOI: 10.1002/Anie.200690063  0.343
2006 Stamenkovic V, Mun BS, Mayrhofer KJ, Ross PN, Markovic NM, Rossmeisl J, Greeley J, Nørskov JK. Titelbild: Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure (Angew. Chem. 18/2006) Angewandte Chemie. 118: 2881-2881. DOI: 10.1002/Ange.200690063  0.341
2005 Hinnemann B, Nørskov JK, Topsøe H. A density functional study of the chemical differences between Type I and Type II MoS2-based structures in hydrotreating catalysts. The Journal of Physical Chemistry. B. 109: 2245-53. PMID 16851217 DOI: 10.1021/Jp048842Y  0.377
2005 Mortensen JJ, Kaasbjerg K, Frederiksen SL, Nørskov JK, Sethna JP, Jacobsen KW. Bayesian error estimation in density-functional theory. Physical Review Letters. 95: 216401. PMID 16384163 DOI: 10.1103/Physrevlett.95.216401  0.301
2005 van Harrevelt R, Honkala K, Norskov JK, Manthe U. The reaction rate for dissociative adsorption of N2 on stepped Ru(0001): six-dimensional quantum calculations. The Journal of Chemical Physics. 122: 234702. PMID 16008468 DOI: 10.1063/1.1927513  0.361
2005 Remediakis IN, Lopez N, Nørskov JK. CO oxidation on rutile-supported au nanoparticles. Angewandte Chemie (International Ed. in English). 44: 1824-6. PMID 15712248 DOI: 10.1002/Anie.200461699  0.674
2005 Honkala K, Hellman A, Remediakis IN, Logadottir A, Carlsson A, Dahl S, Christensen CH, Nørskov JK. Ammonia synthesis from first-principles calculations. Science (New York, N.Y.). 307: 555-8. PMID 15681379 DOI: 10.1126/Science.1106435  0.724
2005 Vang RT, Honkala K, Dahl S, Vestergaard EK, Schnadt J, Laegsgaard E, Clausen BS, Nørskov JK, Besenbacher F. Controlling the catalytic bond-breaking selectivity of Ni surfaces by step blocking. Nature Materials. 4: 160-2. PMID 15665835 DOI: 10.1038/Nmat1311  0.308
2005 Nørskov JK, Bligaard T, Logadottir A, Kitchin JR, Chen JG, Pandelov S, Stimming U. Trends in the exchange current for hydrogen evolution Journal of the Electrochemical Society. 152: J23-J26. DOI: 10.1149/1.1856988  0.388
2005 Christensen CH, Sørensen RZ, Johannessen T, Quaade UJ, Honkala K, Elmøe TD, Køhler R, Nørskov JK. Metal ammine complexes for hydrogen storage Journal of Materials Chemistry. 15: 4106-4108. DOI: 10.1039/B511589B  0.36
2005 Łodziana Z, Topsøe N, Nørskov JK. Negative surface energy — clearing up confusion Nature Materials. 4: 186-186. DOI: 10.1038/Nmat1336B  0.31
2005 Greeley J, Nørskov JK. A general scheme for the estimation of oxygen binding energies on binary transition metal surface alloys Surface Science. 592: 104-111. DOI: 10.1016/J.Susc.2005.07.018  0.364
2005 Abild-Pedersen F, Lytken O, Engbæk J, Nielsen G, Chorkendorff I, Nørskov JK. Methane activation on Ni(1 1 1): Effects of poisons and step defects Surface Science. 590: 127-137. DOI: 10.1016/J.Susc.2005.05.057  0.404
2005 Boisen A, Dahl S, Nørskov JK, Christensen CH. Why the optimal ammonia synthesis catalyst is not the optimal ammonia decomposition catalyst Journal of Catalysis. 230: 309-312. DOI: 10.1016/J.Jcat.2004.12.013  0.327
2005 Vegge T, Hedegaard-Jensen LS, Bonde J, Munter TR, Nørskov JK. Trends in hydride formation energies for magnesium-3d transition metal alloys Journal of Alloys and Compounds. 386: 1-7. DOI: 10.1016/J.Jallcom.2004.03.143  0.34
2005 Rossmeisl J, Logadottir A, Nørskov JK. Electrolysis of water on (oxidized) metal surfaces Chemical Physics. 319: 178-184. DOI: 10.1016/J.Chemphys.2005.05.038  0.454
2005 Topsøe H, Hinnemann B, Nørskov JK, Lauritsen JV, Besenbacher F, Hansen PL, Hytoft G, Egeberg RG, Knudsen KG. The role of reaction pathways and support interactions in the development of high activity hydrotreating catalysts Catalysis Today. 107: 12-22. DOI: 10.1016/J.Cattod.2005.07.165  0.415
2005 Kitchin JR, Nørskov JK, Barteau MA, Chen JG. Trends in the chemical properties of early transition metal carbide surfaces: A density functional study Catalysis Today. 105: 66-73. DOI: 10.1016/J.Cattod.2005.04.008  0.429
2005 Remediakis IN, Lopez N, Nørskov JK. CO oxidation on gold nanoparticles: Theoretical studies Applied Catalysis a: General. 291: 13-20. DOI: 10.1016/J.Apcata.2005.01.052  0.716
2005 Abild-Pedersen F, Greeley J, Nørskov JK. Understanding the effect of steps, strain, poisons, and alloying: Methane activation on Ni surfaces Catalysis Letters. 105: 9-13. DOI: 10.1007/S10562-005-7998-9  0.373
2005 Nilsson A, Pettersson LGM, Hammer B, Bligaard T, Christensen CH, Nørskov JK. The electronic structure effect in heterogeneous catalysis Catalysis Letters. 100: 111-114. DOI: 10.1007/S10562-004-3434-9  0.428
2005 Davies JC, Bonde J, Logadóttir A, Nørskov JK, Chorkendorff I. The ligand effect: CO desorption from Pt/Ru catalysts Fuel Cells. 5: 429-435. DOI: 10.1002/Fuce.200400076  0.418
2004 Kitchin JR, Nørskov JK, Barteau MA, Chen JG. Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals. The Journal of Chemical Physics. 120: 10240-6. PMID 15268048 DOI: 10.1063/1.1737365  0.424
2004 Łodziana Z, Topsøe NY, Nørskov JK. A negative surface energy for alumina. Nature Materials. 3: 289-93. PMID 15077105 DOI: 10.1038/Nmat1106  0.353
2004 Helveg S, López-Cartes C, Sehested J, Hansen PL, Clausen BS, Rostrup-Nielsen JR, Abild-Pedersen F, Nørskov JK. Atomic-scale imaging of carbon nanofibre growth. Nature. 427: 426-9. PMID 14749826 DOI: 10.1038/Nature02278  0.362
2004 Hinnemann B, Nørskov JK. Structure of the FeFe-cofactor of the iron-only nitrogenase and possible mechanism for dinitrogen reduction Phys. Chem. Chem. Phys.. 6: 843-853. DOI: 10.1039/B310850C  0.303
2004 Remediakis IN, Abild-Pedersen F, Nørskov JK. DFT Study of Formaldehyde and Methanol Synthesis from CO and H2on Ni(111)† The Journal of Physical Chemistry B. 108: 14535-14540. DOI: 10.1021/Jp0493374  0.749
2004 Nørskov JK, Rossmeisl J, Logadottir A, Lindqvist L, Kitchin JR, Bligaard T, Jónsson H. Origin of the overpotential for oxygen reduction at a fuel-cell cathode Journal of Physical Chemistry B. 108: 17886-17892. DOI: 10.1021/Jp047349J  0.429
2004 Bligaard T, Nørskov JK, Dahl S, Matthiesen J, Christensen CH, Sehested J. The Brønsted-Evans-Polanyi relation and the volcano curve in heterogeneous catalysis Journal of Catalysis. 224: 206-217. DOI: 10.1016/J.Jcat.2004.02.034  0.431
2004 Lauritsen J, Nyberg M, Nørskov J, Clausen B, Topsøe H, Lægsgaard E, Besenbacher F. Hydrodesulfurization reaction pathways on MoS2 nanoclusters revealed by scanning tunneling microscopy Journal of Catalysis. 224: 94-106. DOI: 10.1016/J.Jcat.2004.02.009  0.413
2004 Sehested J, Gelten JAP, Remediakis IN, Bengaard H, Nørskov JK. Sintering of nickel steam-reforming catalysts: effects of temperature and steam and hydrogen pressures Journal of Catalysis. 223: 432-443. DOI: 10.1016/J.Jcat.2004.01.026  0.741
2004 Lopez N, Janssens TVW, Clausen BS, Xu Y, Mavrikakis M, Bligaard T, Nørskov JK. On the origin of the catalytic activity of gold nanoparticles for low-temperature CO oxidation Journal of Catalysis. 223: 232-235. DOI: 10.1016/J.Jcat.2004.01.001  0.551
2004 Lauritsen JV, Bollinger MV, Lægsgaard E, Jacobsen KW, Nørskov JK, Clausen BS, Topsøe H, Besenbacher F. Atomic-scale insight into structure and morphology changes of MoS 2 nanoclusters in hydrotreating catalysts Journal of Catalysis. 221: 510-522. DOI: 10.1016/J.Jcat.2003.09.015  0.365
2004 Meier J, Schiøtz J, Liu P, Nørskov J, Stimming U. Nano-scale effects in electrochemistry Chemical Physics Letters. 390: 440-444. DOI: 10.1016/J.Cplett.2004.03.149  0.371
2004 Davies JC, Nielsen RM, Thomsen LB, Chorkendorff I, Logadóttir A, Lodziana Z, Nørskov JK, Li WX, Hammer B, Longwitz SR, Schnadt J, Vestergaard EK, Vang RT, Besenbacher F. CO desorption rate dependence on CO partial pressure over platinum fuel cell catalysts Fuel Cells. 4: 309-319. DOI: 10.1002/Fuce.200400046  0.369
2003 Wahlström E, Lopez N, Schaub R, Thostrup P, Rønnau A, Africh C, Laegsgaard E, Nørskov JK, Besenbacher F. Bonding of gold nanoclusters to oxygen vacancies on rutile TiO2(110). Physical Review Letters. 90: 026101. PMID 12570557 DOI: 10.1103/Physrevlett.90.026101  0.36
2003 Bollinger MV, Jacobsen KW, Nørskov JK. Atomic and electronic structure of MoS2 nanoparticles Physical Review B - Condensed Matter and Materials Physics. 67: 854101-8541017. DOI: 10.1103/Physrevb.67.085410  0.377
2003 Lauritsen JV, Nyberg M, Vang RT, Bollinger MV, Clausen BS, Topsøe H, Jacobsen KW, Lægsgaard E, Nørskov JK, Besenbacher F. Chemistry of one-dimensional metallic edge states in MoS2 nanoclusters Nanotechnology. 14: 385-389. DOI: 10.1088/0957-4484/14/3/306  0.417
2003 Lodziana Z, Nørskov JK, Stoltze P. The stability of the hydroxylated (0001) surface of alpha-Al2O3 Journal of Chemical Physics. 118: 11179-11188. DOI: 10.1063/1.1574798  0.375
2003 Bligaard T, Honkala K, Logadottir A, Nørskov JK, Dahl S, Jacobsen CJH. On the Compensation Effect in Heterogeneous Catalysis Journal of Physical Chemistry B. 107: 9325-9331. DOI: 10.1021/Jp034447G  0.4
2003 Strasser P, Fan Q, Devenney M, Weinberg WH, Liu P, Nørskov JK. High Throughput Experimental and Theoretical Predictive Screening of Materials − A Comparative Study of Search Strategies for New Fuel Cell Anode Catalysts The Journal of Physical Chemistry B. 107: 11013-11021. DOI: 10.1021/Jp030508Z  0.422
2003 Logadóttir Á, Nørskov J. Ammonia synthesis over a Ru(0001) surface studied by density functional calculations Journal of Catalysis. 220: 273-279. DOI: 10.1016/S0021-9517(03)00156-8  0.403
2003 Liu P, Logadottir A, Nørskov JK. Modeling the electro-oxidation of CO and H2/CO on Pt, Ru, PtRu and Pt3Sn Electrochimica Acta. 48: 3731-3742. DOI: 10.1016/S0013-4686(03)00538-3  0.426
2002 Lopez N, Nørskov JK. Catalytic CO oxidation by a gold nanoparticle: a density functional study. Journal of the American Chemical Society. 124: 11262-3. PMID 12236728 DOI: 10.1021/Ja026998A  0.378
2002 Jóhannesson GH, Bligaard T, Ruban AV, Skriver HL, Jacobsen KW, Nørskov JK. Combined electronic structure and evolutionary search approach to materials design. Physical Review Letters. 88: 255506. PMID 12097098 DOI: 10.1103/Physrevlett.88.255506  0.305
2002 Greeley J, Nørskov JK, Mavrikakis M. Electronic structure and catalysis on metal surfaces. Annual Review of Physical Chemistry. 53: 319-48. PMID 11972011 DOI: 10.1146/Annurev.Physchem.53.100301.131630  0.585
2002 Bahn SR, Lopez N, Nørskov JK, Jacobsen KW. Adsorption-induced restructuring of gold nanochains Physical Review B - Condensed Matter and Materials Physics. 66: 814051-814054. DOI: 10.1103/Physrevb.66.081405  0.329
2002 Mavrikakis M, Rempel J, Greeley J, Hansen LB, Nørskov JK. Atomic and molecular adsorption on Rh(111) Journal of Chemical Physics. 117: 6737-6744. DOI: 10.1063/1.1507104  0.416
2002 Mavrikakis M, Bäumer M, Freund H, Nørskov J. Catalysis Letters. 81: 153-156. DOI: 10.1023/A:1016560502889  0.507
2002 Ruban AV, Skriver HL, Nørskov JK. Chapter 1 - Local equilibrium properties of metallic surface alloys The Chemical Physics of Solid Surfaces. 10: 1-29. DOI: 10.1016/S1571-0785(02)80088-8  0.335
2002 Rostrup-Nielsen JR, Sehested J, Nørskov JK. Hydrogen and Synthesis gas by Steam- and CO2 reforming Advances in Catalysis. 47: 65-139. DOI: 10.1016/S0360-0564(02)47006-X  0.349
2002 Lopez N, Nørskov J. Theoretical study of the Au/TiO2() interface Surface Science. 515: 175-186. DOI: 10.1016/S0039-6028(02)01873-3  0.374
2002 Christoffersen E, Stoltze P, Nørskov J. Monte Carlo simulations of adsorption-induced segregation Surface Science. 505: 200-214. DOI: 10.1016/S0039-6028(02)01158-5  0.32
2002 Rod T, Nørskov J. The surface science of enzymes Surface Science. 500: 678-698. DOI: 10.1016/S0039-6028(01)01537-0  0.307
2002 Nørskov J, Bligaard T, Logadottir A, Bahn S, Hansen L, Bollinger M, Bengaard H, Hammer B, Sljivancanin Z, Mavrikakis M, Xu Y, Dahl S, Jacobsen C. Universality in Heterogeneous Catalysis Journal of Catalysis. 209: 275-278. DOI: 10.1006/Jcat.2002.3615  0.589
2002 Bengaard H, Nørskov J, Sehested J, Clausen B, Nielsen L, Molenbroek A, Rostrup-Nielsen J. Steam Reforming and Graphite Formation on Ni Catalysts Journal of Catalysis. 209: 365-384. DOI: 10.1006/Jcat.2002.3579  0.416
2002 Jacobsen CJ, Dahl S, Boisen A, Clausen BS, Topsøe H, Logadottir A, Nørskov JK. Optimal Catalyst Curves: Connecting Density Functional Theory Calculations with Industrial Reactor Design and Catalyst Selection Journal of Catalysis. 205: 382-387. DOI: 10.1006/Jcat.2001.3442  0.392
2001 Schaub R, Thostrup P, Lopez N, Laegsgaard E, Stensgaard I, Nørskov JK, Besenbacher F. Oxygen vacancies as active sites for water dissociation on rutile TiO(2)(110). Physical Review Letters. 87: 266104. PMID 11800845 DOI: 10.1103/Physrevlett.87.266104  0.38
2001 Nørskov JK. Catalysis frozen in time. Nature. 414: 405-6. PMID 11719788 DOI: 10.1038/35106674  0.35
2001 Bollinger MV, Lauritsen JV, Jacobsen KW, Nørskov JK, Helveg S, Besenbacher F. One-dimensional metallic edge states in MoS2. Physical Review Letters. 87: 196803. PMID 11690441 DOI: 10.1103/Physrevlett.87.196803  0.316
2001 Thostrup P, Christoffersen E, Lorensen HT, Jacobsen KW, Besenbacher F, Nørskov JK. Adsorption-induced step formation. Physical Review Letters. 87: 126102. PMID 11580529 DOI: 10.1103/Physrevlett.87.126102  0.395
2001 Jacobsen CJ, Dahl S, Clausen BS, Bahn S, Logadottir A, Nørskov JK. Catalyst design by interpolation in the periodic table: bimetallic ammonia synthesis catalysts. Journal of the American Chemical Society. 123: 8404-5. PMID 11516293 DOI: 10.1021/Ja010963D  0.32
2001 Watwe RM, Cortright RD, Mavrikakis M, Nørskov JK, Dumesic JA. Density functional theory studies of the adsorption of ethylene and oxygen on Pt(111) and Pt3Sn(111) Journal of Chemical Physics. 114: 4663-4668. DOI: 10.1063/1.1346685  0.578
2001 Liu P, Nørskov JK. Ligand and ensemble effects in adsorption on alloy surfaces Physical Chemistry Chemical Physics. 3: 3814-3818. DOI: 10.1039/B103525H  0.365
2001 Molenbroek AM, Nørskov JK, Clausen BS. Structure and Reactivity of Ni−Au Nanoparticle Catalysts The Journal of Physical Chemistry B. 105: 5450-5458. DOI: 10.1021/Jp0043975  0.389
2001 Dahl S, Logadottir A, Jacobsen CJ, Nørskov JK. Electronic factors in catalysis: the volcano curve and the effect of promotion in catalytic ammonia synthesis Applied Catalysis a: General. 222: 19-29. DOI: 10.1016/S0926-860X(01)00826-2  0.448
2001 Lopez N, Nørskov J. Synergetic effects in CO adsorption on Cu–Pd(111) alloys Surface Science. 477: 59-75. DOI: 10.1016/S0039-6028(01)00706-3  0.318
2001 Christoffersen E, Liu P, Ruban A, Skriver HL, Nørskov JK. Anode materials for low-temperature fuel cells : A density functional theory study Journal of Catalysis. 199: 123-131. DOI: 10.1006/Jcat.2000.3136  0.425
2001 Logadottir A, Rod T, Nørskov J, Hammer B, Dahl S, Jacobsen C. The Brønsted–Evans–Polanyi Relation and the Volcano Plot for Ammonia Synthesis over Transition Metal Catalysts Journal of Catalysis. 197: 229-231. DOI: 10.1006/Jcat.2000.3087  0.442
2001 Liu P, Nørskov JK. Kinetics of the Anode Processes in PEM Fuel Cells - The Promoting Effect of Ru in PtRu Anodes Fuel Cells. 1: 192-201. DOI: 10.1002/1615-6854(200112)1:3/4<192::Aid-Fuce192>3.0.Co;2-M  0.395
2000 Besenbacher F, Nørskov JK. SURFACE SCIENCE: How to Power a Nanomotor. Science (New York, N.Y.). 290: 1520. PMID 17771226 DOI: 10.1126/Science.290.5496.1520  0.31
2000 Helveg S, Lauritsen JV, Lægsgaard E, Stensgaard I, Nørskov JK, Clausen BS, Topsøe H, Besenbacher F. Atomic-scale structure of single-layer MoS2 nanoclusters Physical Review Letters. 84: 951-954. PMID 11017413 DOI: 10.1103/Physrevlett.84.951  0.309
2000 Pedersen MO, Osterlund L, Mortensen JJ, Mavrikakis M, Hansen LB, Stensgaard I, Laegsgaard E, Norskov JK, Besenbacher F. Diffusion of N adatoms on the Fe(100) surface Physical Review Letters. 84: 4898-901. PMID 10990826 DOI: 10.1103/Physrevlett.84.4898  0.5
2000 Pallassana V, Neurock M, Hansen LB, Nørskov JK. First principles analysis of hydrogen chemisorption on Pd-Re alloyed overlayers and alloyed surfaces Journal of Chemical Physics. 112: 5435-5439. DOI: 10.1063/1.481119  0.34
2000 Rod TH, Logadottir A, Nørskov JK. Ammonia synthesis at low temperatures The Journal of Chemical Physics. 112: 5343-5347. DOI: 10.1063/1.481103  0.387
2000 Clausen BS, Nørskov JK. Topics in Catalysis. 10: 221-230. DOI: 10.1023/A:1019196908404  0.316
2000 Mavrikakis M, Stoltze P, Nørskov JK. Making gold less noble Catalysis Letters. 64: 101-106. DOI: 10.1023/A:1019028229377  0.537
2000 Watwe RM, Cortright RD, Nørskov JK, Dumesic JA. Theoretical Studies of Stability and Reactivity of C2Hydrocarbon Species on Pt Clusters, Pt(111), and Pt(211) The Journal of Physical Chemistry B. 104: 2299-2310. DOI: 10.1021/Jp993202U  0.323
2000 Papoian G, Nørskov JK, Hoffmann R. A comparative theoretical study of the hydrogen, methyl, and ethyl chemisorption on the Pt(111) surface Journal of the American Chemical Society. 122: 4129-4144. DOI: 10.1021/Ja993483J  0.42
2000 Rod TH, Nørskov JK. Modeling the Nitrogenase FeMo Cofactor Journal of the American Chemical Society. 122: 12751-12763. DOI: 10.1021/Ja001163Q  0.373
2000 Hammer B, Nørskov JK. Theoretical surface science and catalysis—calculations and concepts Advances in Catalysis. 45: 71-129. DOI: 10.1016/S0360-0564(02)45013-4  0.475
2000 Skriver HL, Ruban A, Nørskov JK, Vitos L, Kollár J. Steps, kinks, and segregation at metallic surfaces Progress in Surface Science. 64: 193-198. DOI: 10.1016/S0079-6816(00)00016-2  0.394
2000 Bollinger MV, Jacobsen KW, Nørskov JK. Surface chemistry in three dimensions: CO dissociation between two surfaces Chemical Physics Letters. 322: 307-311. DOI: 10.1016/S0009-2614(00)00439-5  0.359
2000 Watwe RM, Bengaard HS, Rostrup-Nielsen JR, Dumesic JA, Nørskov JK. Theoretical Studies of Stability and Reactivity of CHx Species on Ni(111) Journal of Catalysis. 189: 16-30. DOI: 10.1006/Jcat.1999.2699  0.409
1999 Dahl S, Logadottir A, Egeberg RC, Larsen JH, Chorkendorff I, Törnqvist E, Nørskov JK. Role of Steps inN2Activation on Ru(0001) Physical Review Letters. 83: 1814-1817. DOI: 10.1103/Physrevlett.83.1814  0.405
1999 Pallassana V, Neurock M, Hansen LB, Hammer B, Nørskov JK. Theoretical analysis of hydrogen chemisorption on Pd(111), Re(0001) and PdML/Re(0001), ReML/Pd(111) pseudomorphic overlayers Physical Review B - Condensed Matter and Materials Physics. 60: 6146-6154. DOI: 10.1103/Physrevb.60.6146  0.339
1999 Hammer B, Hansen LB, Nørskov JK. Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals Physical Review B. 59: 7413-7421. DOI: 10.1103/Physrevb.59.7413  0.383
1999 Ruban AV, Skriver HL, Nørskov JK. Surface segregation energies in transition-metal alloys Physical Review B. 59: 15990-16000. DOI: 10.1103/Physrevb.59.15990  0.394
1999 Tripa CE, Zubkov TS, Yates JT, Mavrikakis M, Nørskov JK. Molecular N2 chemisorption—specific adsorption on step defect sites on Pt surfaces The Journal of Chemical Physics. 111: 8651-8658. DOI: 10.1063/1.480204  0.561
1999 Horch S, Lorensen HT, Helveg S, Lægsgaard E, Stensgaard I, Jacobsen KW, Nørskov JK, Besenbacher F. Enhancement of surface self-disfusion of platinum atoms by adsorbed hydrogen Nature. 398: 134-136. DOI: 10.1038/18185  0.344
1999 Nørskov JK. Catalysis from first principles Studies in Surface Science and Catalysis. 122: 3-10. DOI: 10.1016/S0167-2991(99)80128-1  0.417
1999 Helveg S, Lorensen HT, Horch S, Lægsgaard E, Stensgaard I, Jacobsen KW, Nørskov JK, Besenbacher F. Oxygen adsorption on Pt(110)-(1 × 2): new high-coverage structures Surface Science. 430: L533-L539. DOI: 10.1016/S0039-6028(99)00411-2  0.383
1999 Pedersen M, Helveg S, Ruban A, Stensgaard I, Lægsgaard E, Nørskov J, Besenbacher F. How a gold substrate can increase the reactivity of a Pt overlayer Surface Science. 426: 395-409. DOI: 10.1016/S0039-6028(99)00385-4  0.377
1999 Mortensen J, Ganduglia-Pirovano M, Hansen L, Hammer B, Stoltze P, Nørskov J. Nitrogen adsorption on Fe(111), (100), and (110) surfaces Surface Science. 422: 8-16. DOI: 10.1016/S0039-6028(98)00802-4  0.337
1999 Bengaard HS, Alstrup I, Chorkendorff I, Ullmann S, Rostrup-Nielsen JR, Nørskov JK. Chemisorption of Methane on Ni(100) and Ni(111) Surfaces with Preadsorbed Potassium Journal of Catalysis. 187: 238-244. DOI: 10.1006/Jcat.1999.2612  0.393
1999 Byskov LS, Nørskov JK, Clausen BS, Topsøe H. DFT Calculations of Unpromoted and Promoted MoS2-Based Hydrodesulfurization Catalysts Journal of Catalysis. 187: 109-122. DOI: 10.1006/Jcat.1999.2598  0.413
1999 Mortensen JJ, Hansen LB, Hammer B, Nørskov JK. Nitrogen Adsorption and Dissociation on Fe(111) Journal of Catalysis. 182: 479-488. DOI: 10.1006/Jcat.1998.2364  0.324
1998 Besenbacher F, Chorkendorff I, Clausen BS, Hammer B, Molenbroek AM, Norskov JK, Stensgaard I. Design of a surface alloy catalyst for steam reforming Science (New York, N.Y.). 279: 1913-5. PMID 9506937 DOI: 10.1126/Science.279.5358.1913  0.388
1998 Mavrikakis M, Hammer B, Nørskov JK. Effect of Strain on the Reactivity of Metal Surfaces Physical Review Letters. 81: 2819-2822. DOI: 10.1103/Physrevlett.81.2819  0.574
1998 Mortensen JJ, Hammer B, Nørskov JK. Alkali Promotion ofN2Dissociation over Ru(0001) Physical Review Letters. 80: 4333-4336. DOI: 10.1103/Physrevlett.80.4333  0.418
1998 Christoffersen E, Mortensen J, Stoltze P, Nørskov JK. N2Interaction with Fe Surfaces Israel Journal of Chemistry. 38: 279-284. DOI: 10.1002/Ijch.199800033  0.354
1997 Christensen A, Ruban AV, Stoltze P, Jacobsen KW, Skriver HL, Nørskov JK, Besenbacher F. Phase diagrams for surface alloys Physical Review B - Condensed Matter and Materials Physics. 56: 5822-5834. DOI: 10.1103/Physrevb.56.5822  0.374
1997 Ruban A, Hammer B, Stoltze P, Skriver H, Nørskov J. Surface electronic structure and reactivity of transition and noble metals1Communication presented at the First Francqui Colloquium, Brussels, 19–20 February 1996.1 Journal of Molecular Catalysis a: Chemical. 115: 421-429. DOI: 10.1016/S1381-1169(96)00348-2  0.399
1997 Topsøe H, Ovesen CV, Clausen BS, Topsøe N-, Nielsen PEH, Törnqvist E, Nørskov JK. Importance of Dynamics in real catalyst systems Studies in Surface Science and Catalysis. 109: 121-139. DOI: 10.1016/S0167-2991(97)80402-8  0.385
1997 Morikawa Y, Mortensen JJ, Hammer B, Nørskov JK. CO adsorption and dissociation on Pt(111) and Ni(111) surfaces Surface Science. 386: 67-72. DOI: 10.1016/S0039-6028(97)00337-3  0.397
1997 Mortensen JJ, Morikawa Y, Hammer B, Nørskov JK. Density Functional Calculations of N2Adsorption and Dissociation on a Ru(0001) Surface Journal of Catalysis. 169: 85-92. DOI: 10.1006/Jcat.1997.1661  0.44
1997 Ovesen C, Clausen BS, Schiøtz J, Stoltze P, Topsøe H, Nørskov JK. Kinetic Implications of Dynamical Changes in Catalyst Morphology during Methanol Synthesis over Cu/ZnO Catalysts Journal of Catalysis. 168: 133-142. DOI: 10.1006/Jcat.1997.1629  0.384
1996 Hammer B, Morikawa Y, Nørskov JK. CO Chemisorption at Metal Surfaces and Overlayers Physical Review Letters. 76: 2141-2144. PMID 10060616 DOI: 10.1103/Physrevlett.76.2141  0.435
1996 Kratzer P, Hammer B, Grey F, Nørskov JK. STABILITY OF ADSORBED HYDROGEN ON Si(100) UNDER CHANGES OF THE SURFACE POTENTIAL Surface Review and Letters. 3: 1227-1233. DOI: 10.1142/S0218625X96002229  0.359
1996 Kratzer P, Hammer B, Nørskov JK. A theoretical study of CH4 dissociation on pure and gold‐alloyed Ni(111) surfaces Journal of Chemical Physics. 105: 5595-5604. DOI: 10.1063/1.472399  0.382
1996 Jacobsen KW, Stoltze P, Nørskov JK. A semi-empirical effective medium theory for metals and alloys Surface Science. 366: 394-402. DOI: 10.1016/0039-6028(96)00816-3  0.411
1996 Kratzer P, Hammer B, Nørskov JK. Geometric and electronic factors determining the differences in reactivity of H2 on Cu(100) and Cu(111) Surface Science. 359: 45-53. DOI: 10.1016/0039-6028(96)00309-3  0.41
1996 Ovesen C, Clausen B, Hammershøi B, Steffensen G, Askgaard T, Chorkendorff I, Nørskov J, Rasmussen P, Stoltze P, Taylor P. A Microkinetic Analysis of the Water–Gas Shift Reaction under Industrial Conditions Journal of Catalysis. 158: 170-180. DOI: 10.1006/Jcat.1996.0016  0.379
1995 Jacobsen J, Pleth Nielsen L, Besenbacher F, Stensgaard I, Lægsgaard E, Rasmussen T, Jacobsen KW, Norskov JK. Atomic-scale determination of misfit dislocation loops at metal-metal interfaces. Physical Review Letters. 75: 489-492. PMID 10060034 DOI: 10.1103/Physrevlett.75.489  0.314
1995 Brandbyge M, Schiotz J, Sorensen MR, Stoltze P, Jacobsen KW, Norskov JK, Olesen L, Laegsgaard E, Stensgaard I, Besenbacher F. Quantized conductance in atom-sized wires between two metals. Physical Review. B, Condensed Matter. 52: 8499-8514. PMID 9979855 DOI: 10.1103/Physrevb.52.8499  0.303
1995 Hammer B, Nørskov J. Electronic factors determining the reactivity of metal surfaces Surface Science. 343: 211-220. DOI: 10.1016/0039-6028(96)80007-0  0.401
1994 Olesen L, Laegsgaard E, Stensgaard I, Besenbacher F, Schiotz J, Stoltze P, Jacobsen KW, Norskov JK. Quantized conductance in an atom-sized point contact. Physical Review Letters. 72: 2251-2254. PMID 10055827 DOI: 10.1103/Physrevlett.72.2251  0.302
1994 Clausena BS, Topsøe H, Hansen LB, Stoltze P, Nørskov JK. Determination of metal particle sizes from EXAFS Catalysis Today. 21: 49-55. DOI: 10.1016/0920-5861(94)80033-2  0.31
1994 Gundersen K, Jacobsen KW, Nørskov JK, Hammer B. The energetics and dynamics of H2 dissociation on Al(110) Surface Science. 304: 131-144. DOI: 10.1016/0039-6028(94)90759-5  0.31
1994 Nørskov JK. Theory of adsorption and adsorbate-induced reconstruction Surface Science. 690-705. DOI: 10.1016/0039-6028(94)90690-4  0.347
1994 Kratzer P, Hammer B, Nørskov JK. The coupling between adsorption dynamics and the surface structure: H2 on Si(100) Chemical Physics Letters. 229: 645-649. DOI: 10.1016/0009-2614(94)01100-1  0.363
1994 Clausen BS, Schiøtz J, Gråbæk L, Ovesen CV, Jacobsen KW, Nørskov JK, Topsøe H. Wetting/ non-wetting phenomena during catalysis: Evidence from in situ on-line EXAFS studies of Cu-based catalysts Topics in Catalysis. 1: 367-376. DOI: 10.1007/Bf01492289  0.366
1993 Hansen LB, Stoltze P, Jacobsen KW, Nørskov JK. Activation free energy and entropy for the normal and exchange selfdiffusion processes on Cu(100) Surface Science. 289: 68-74. DOI: 10.1016/0167-2584(93)90740-A  0.344
1993 Besenbacher F, Nørskov JK. Oxygen chemisorption on metal surfaces: General trends for Cu, Ni and Ag Progress in Surface Science. 44: 5-66. DOI: 10.1016/0079-6816(93)90006-H  0.373
1993 Nørskov JK, Jacobsen KW, Stoltze P, Hansen LB. Many-atom interactions in metals Surface Science. 283: 277-282. DOI: 10.1016/0039-6028(93)90992-S  0.323
1993 Gundersen K, Hammer B, Jacobsen KW, Nørskov JK, Lin JS, Milman V. Chemisorption and vibration of hydrogen on Cu(111) Surface Science. 285: 27-30. DOI: 10.1016/0039-6028(93)90910-C  0.334
1993 Hammer B, Jacobsen KW, Nørskov JK. Polarization and charge transfer during the dissociation of H2 on Al(110) Surface Science. 297: L68-L72. DOI: 10.1016/0039-6028(93)90007-7  0.351
1993 Christensen OB, Nørskov JK. Modeling the potassium promotion of CO bonding to Ni(100) Chemical Physics Letters. 214: 443-446. DOI: 10.1016/0009-2614(93)85663-9  0.322
1992 Hammer B, Jacobsen KW, Norskov JK. Dissociation path for H2 on Al(110). Physical Review Letters. 69: 1971-1974. PMID 10046363 DOI: 10.1103/Physrevlett.69.1971  0.345
1992 Chetty N, Stokbro K, Jacobsen KW, Norskov JK. Ab initio potential for solids. Physical Review. B, Condensed Matter. 46: 3798-3809. PMID 10004103 DOI: 10.1103/Physrevb.46.3798  0.315
1992 Engdahl C, Lundqvist BI, Nielsen U, Norskov JK. Multidimensional effects in dissociative chemisorption: H2 on Cu and Ni surfaces. Physical Review. B, Condensed Matter. 45: 11362-11365. PMID 10001070  0.515
1992 Zhigang X, Chakraborty B, Jacobsen KW, Norskov JK. An effective-medium theory approach to ordering in Cu-Au alloys Journal of Physics: Condensed Matter. 4: 7191-7202. DOI: 10.1088/0953-8984/4/35/005  0.306
1992 Besenbacher F, Stensgaard I, Ruan L, Nørskov JK, Jacobsen KW. Chemisorption of H, O, and S on Ni(110): general trends Surface Science. 272: 334-341. DOI: 10.1016/0039-6028(92)91459-O  0.324
1992 Ovesen C, Stoltze P, Nørskov J, Campbell C. A kinetic model of the water gas shift reaction Journal of Catalysis. 134: 445-468. DOI: 10.1016/0021-9517(92)90334-E  0.358
1992 Nørskov JK, Clausen BS, Topsøe H. Understanding the trends in the hydrodesulfurization activity of the transition metal sulfides Catalysis Letters. 13: 1-8. DOI: 10.1007/Bf00770941  0.386
1991 Nørskov JK. Electronic factors in catalysis Progress in Surface Science. 38: 103-144. DOI: 10.1016/0079-6816(91)90007-Q  0.407
1991 Ditlevsen PD, Nørskov JK. Vibrational properties of aluminum, nickel and copper surfaces Surface Science. 254: 261-274. DOI: 10.1016/0039-6028(91)90658-F  0.367
1991 Nørskov JK, Stoltze P, Nielsen U. The reactivity of metal surfaces Catalysis Letters. 9: 173-182. DOI: 10.1007/Bf00773175  0.436
1990 Ditlevsen PD, Nørskov JK. The surface phonons of Cu(111) Journal of Electron Spectroscopy and Related Phenomena. 237-244. DOI: 10.1016/0368-2048(90)80216-W  0.317
1989 Nordlander P, Norskov JK, Besenbacher F, Myers SM. Multiple deuterium occupancy of vacancies in Pd and related metals. Physical Review. B, Condensed Matter. 40: 1990-1992. PMID 9992069 DOI: 10.1103/Physrevb.40.1990  0.482
1989 Stoltze P, Nørskov JK, Landman U. The onset of disorder in Al(110) surfaces below the melting point Surface Science Letters. 220. DOI: 10.1016/0167-2584(89)90705-6  0.314
1987 Holloway S, Nørskov JK, Lang ND. Electrostatic interactions and their role in coadsorption phenomena Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 83: 1935. DOI: 10.1039/F19878301935  0.393
1987 Karikorpi M, Holloway S, Henriksen NE, Nørskov JK. Dynamics of molecule-surface interactions Surface Science. 179. DOI: 10.1016/0039-6028(87)90111-7  0.381
1986 Frøyen S, Holloway S, Nørskov J, Chakraborty B. Quantum motion of chemisorbed hydrogen Journal of Electron Spectroscopy and Related Phenomena. 38: 313-315. DOI: 10.1016/0368-2048(86)85103-9  0.319
1986 Jacobsen K, Nørskov J. A theoretical study of carbon chemisorption on nickel surfaces Surface Science. 166: 539-553. DOI: 10.1016/0039-6028(86)90695-3  0.372
1985 Besenbacher F, Myers SM, Nørskov JK. Interaction of hydrogen with defects in metals Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions With Materials and Atoms. 7: 55-66. DOI: 10.1016/0168-583X(85)90529-4  0.333
1985 Chakraborty B, Holloway S, Nørskov JK. Oxygen chemisorption and incorporation on transition metal surfaces Surface Science Letters. 152: 660-683. DOI: 10.1016/0167-2584(85)90146-X  0.419
1984 Manninen M, Nørskov JK, Puska MJ, Umrigar C. Repulsive interaction of the helium atom with a metal surface Physical Review B. 29: 2314-2316. DOI: 10.1103/Physrevb.29.2314  0.32
1984 Nordlander P, Holloway S, Nørskov JK. Hydrogen adsorption on metal surfaces Surface Science. 136: 59-81. DOI: 10.1016/0167-2584(84)90410-9  0.401
1983 Lundqvist BI, Hellsing B, Holmström S, Nordlander P, Persson M, Nørskov JK. Theoretical studies of molecular adsorption on metal surfaces International Journal of Quantum Chemistry. 23: 1083-1090. DOI: 10.1002/Qua.560230332  0.678
1982 Nørskov JK, Besenbacher F, Bøttiger J, Nielsen BB, Pisarev AA. Interaction of Hydrogen with Defects in Metals: Interplay between Theory and Experiment Physical Review Letters. 49: 1420-1423. DOI: 10.1103/Physrevlett.49.1420  0.327
1982 Manninen M, Nørskov J, Umrigar C. Calculation of the helium diffraction from the reconstructed Au(110) surface Surface Science Letters. 119: L393-L400. DOI: 10.1016/0167-2584(82)90260-2  0.34
1981 Nørskov JK, Houmøller A, Johansson PK, Lundqvist BI. Adsorption and dissociation of H2 on Mg surfaces Physical Review Letters. 46: 257-260. DOI: 10.1103/Physrevlett.46.257  0.514
1979 Nørskov JK, Lundqvist BI. Secondary-ion emission probability in sputtering Physical Review B. 19: 5661-5665. DOI: 10.1103/PhysRevB.19.5661  0.448
1979 Kasemo B, Törnqvist E, Nørskov JK, Lundqvist BI. Photon and electron emission as indicators of intermediate states in surface reactions Surface Science. 89: 554-565. DOI: 10.1016/0039-6028(79)90637-X  0.534
1979 Lundqvist BI, Gunnarsson O, Hjelmberg H, Nørskov JK. Theoretical description of molecule-metal interaction and surface reactions Surface Science. 89: 196-225. DOI: 10.1016/0039-6028(79)90608-3  0.591
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