Year |
Citation |
Score |
2020 |
Tang MT, Peng H, Lamoureux PS, Bajdich M, Abild-Pedersen F. From electricity to fuels: Descriptors for C1 selectivity in electrochemical CO2 reduction Applied Catalysis B-Environmental. 279: 119384. DOI: 10.1016/J.Apcatb.2020.119384 |
0.312 |
|
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 |
0.327 |
|
2019 |
Winther KT, Hoffmann MJ, Boes JR, Mamun O, Bajdich M, Bligaard T. Catalysis-Hub.org, an open electronic structure database for surface reactions. Scientific Data. 6: 75. PMID 31138816 DOI: 10.1038/S41597-019-0081-Y |
0.347 |
|
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 |
0.316 |
|
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 |
0.384 |
|
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 |
0.333 |
|
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 |
0.324 |
|
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 |
0.333 |
|
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 |
0.359 |
|
2018 |
Zhou D, Cai Z, Bi Y, Tian W, Luo M, Zhang Q, Zhang Q, Xie Q, Wang J, Li Y, Kuang Y, Duan X, Bajdich M, Siahrostami S, Sun X. Effects of redox-active interlayer anions on the oxygen evolution reactivity of NiFe-layered double hydroxide nanosheets Nano Research. 11: 1358-1368. DOI: 10.1007/S12274-017-1750-9 |
0.372 |
|
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 |
0.365 |
|
2017 |
Lu Z, Chen G, Li Y, Wang H, Xie J, Liao L, Liu C, Liu Y, Wu T, Li Y, Luntz AC, Bajdich M, Cui Y. Identifying the active surfaces of electrochemically tuned LiCoO2 for oxygen evolution reaction. Journal of the American Chemical Society. PMID 28418250 DOI: 10.1021/Jacs.7B02622 |
0.314 |
|
2017 |
Fester J, García-Melchor M, Walton AS, Bajdich M, Li Z, Lammich L, Vojvodic A, Lauritsen JV. Edge reactivity and water-assisted dissociation on cobalt oxide nanoislands. Nature Communications. 8: 14169. PMID 28134335 DOI: 10.1038/Ncomms14169 |
0.317 |
|
2017 |
Fester J, Bajdich M, Walton AS, Sun Z, Plessow PN, Vojvodic A, Lauritsen JV. Comparative analysis of cobalt oxide nanoisland stability and edge structures on three related noble metal surfaces: Au(111), Pt(111) and Ag(111) Topics in Catalysis. 60: 503-512. DOI: 10.1007/S11244-016-0708-6 |
0.325 |
|
2017 |
Doyle AD, Bajdich M, Vojvodic A. Theoretical Insights to Bulk Activity Towards Oxygen Evolution in Oxyhydroxides Catalysis Letters. 147: 1533-1539. DOI: 10.1007/S10562-017-2010-Z |
0.336 |
|
2016 |
Zhang B, Zheng X, Voznyy O, Comin R, Bajdich M, García-Melchor M, Han L, Xu J, Liu M, Zheng L, García de Arquer FP, Dinh CT, Fan F, Yuan M, Yassitepe E, et al. Homogeneously dispersed, multimetal oxygen-evolving catalysts. Science (New York, N.Y.). PMID 27013427 DOI: 10.1126/Science.Aaf1525 |
0.356 |
|
2016 |
Ng JWD, García-Melchor M, Bajdich M, Chakthranont P, Kirk C, Vojvodic A, Jaramillo TF. Gold-supported cerium-doped NiOx catalysts for water oxidation Nature Energy. 1. DOI: 10.1038/Nenergy.2016.53 |
0.308 |
|
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 |
0.32 |
|
2016 |
Plessow PN, Bajdich M, Greene J, Vojvodic A, Abild-Pedersen F. Trends in the Thermodynamic Stability of Ultrathin Supported Oxide Films Journal of Physical Chemistry C. 120: 10351-10360. DOI: 10.1021/Acs.Jpcc.6B01404 |
0.305 |
|
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 |
0.34 |
|
2015 |
Walton AS, Fester J, Bajdich M, Arman MA, Osiecki J, Knudsen J, Vojvodic A, Lauritsen JV. Interface controlled oxidation states in layered cobalt oxide nanoislands on gold. Acs Nano. 9: 2445-53. PMID 25693621 DOI: 10.1021/Acsnano.5B00158 |
0.327 |
|
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 |
0.339 |
|
2013 |
Hauser AW, Gomes J, Bajdich M, Head-Gordon M, Bell AT. Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes. Physical Chemistry Chemical Physics : Pccp. 15: 20727-34. PMID 24196250 DOI: 10.1039/C3Cp53796J |
0.314 |
|
2013 |
Friebel D, Bajdich M, Yeo BS, Louie MW, Miller DJ, Sanchez Casalongue H, Mbuga F, Weng TC, Nordlund D, Sokaras D, Alonso-Mori R, Bell AT, Nilsson A. On the chemical state of Co oxide electrocatalysts during alkaline water splitting. Physical Chemistry Chemical Physics : Pccp. 15: 17460-7. PMID 24026021 DOI: 10.1039/C3Cp52981A |
0.33 |
|
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 |
0.324 |
|
2013 |
Guo S, Bajdich M, Mitas L, Reynolds PJ. Study of dipole moments of LiSr and KRb molecules by quantum Monte Carlo methods Molecular Physics. 111: 1744-1752. DOI: 10.1080/00268976.2013.788741 |
0.68 |
|
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 |
0.335 |
|
2011 |
Bajdich M, Kent PRC, Kim J, Reboredo FA. Simple impurity embedded in a spherical jellium: Approximations of density functional theory compared to quantum Monte Carlo benchmarks Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.075131 |
0.395 |
|
2010 |
Bajdich M, Tiago ML, Hood RQ, Kent PR, Reboredo FA. Systematic reduction of sign errors in many-body calculations of atoms and molecules. Physical Review Letters. 104: 193001. PMID 20866961 DOI: 10.1103/Physrevlett.104.193001 |
0.383 |
|
2010 |
Bajdich M, Reboredo FA, Kent PRC. Quantum Monte Carlo calculations of dihydrogen binding energetics on Ca cations: An assessment of errors in density functionals for weakly bonded systems Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.081405 |
0.395 |
|
2010 |
Bajdich M, Kolorenč J, Mitas L, Reynolds PJ. Pairing in Cold Atoms and other Applications for Quantum Monte Carlo methods Physics Procedia. 3: 1397-1410. DOI: 10.1016/J.Phpro.2010.01.199 |
0.631 |
|
2009 |
Wagner LK, Bajdich M, Mitas L. QWalk: A quantum Monte Carlo program for electronic structure Journal of Computational Physics. 228: 3390-3404. DOI: 10.1016/J.Jcp.2009.01.017 |
0.628 |
|
2009 |
Bajdich M, Mitas L. Electronic structure quantum Monte Carlo Acta Physica Slovaca. 59: 81-168. |
0.603 |
|
2008 |
Bajdich M, Mitas L, Wagner LK, Schmidt KE. Pfaffian pairing and backflow wavefunctions for electronic structure quantum Monte Carlo methods Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.115112 |
0.617 |
|
2008 |
Esler KP, Kim J, Ceperley DM, Purwanto W, Walter EJ, Krakauer H, Zhang S, Kent PRC, Hennig G, Umrigar C, Bajdich M, Koloren? J, Mitas L, Srinivasan A. Quantum Monte Carlo algorithms for electronic structure at the petascale; The Endstation project Journal of Physics: Conference Series. 125. DOI: 10.1088/1742-6596/125/1/012057 |
0.64 |
|
2006 |
Bajdich M, Mitas L, Drobný G, Wagner LK, Schmidt KE. Pfaffian pairing wave functions in electronic-structure quantum Monte Carlo simulations. Physical Review Letters. 96: 130201. PMID 16711968 DOI: 10.1103/Physrevlett.96.130201 |
0.61 |
|
2005 |
Bajdich M, Mitas L, Drobný G, Wagner LK. Approximate and exact nodes of fermionic wavefunctions: Coordinate transformations and topologies Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.075131 |
0.6 |
|
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