Jeffrey Greeley - Publications

Affiliations: 
Chemical Engineering Purdue University, West Lafayette, IN, United States 
Area:
First principles theories of interfacial science and catalysis
Website:
https://engineering.purdue.edu/ChE/People/ptProfile?id=84163

157 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Ahmadiparidari A, Warburton RE, Majidi L, Asadi M, Chamaani A, Jokisaari JR, Rastegar S, Hemmat Z, Sayahpour B, Assary RS, Narayanan B, Abbasi P, Redfern PC, Ngo A, Vörös M, ... Greeley J, et al. A Long-Cycle-Life Lithium-CO Battery with Carbon Neutrality. Advanced Materials (Deerfield Beach, Fla.). e1902518. PMID 31441124 DOI: 10.1002/adma.201902518  0.32
2019 Evmenenko G, Warburton RE, Yildirim H, Greeley JP, Chan MKY, Buchholz DB, Fenter P, Bedzyk MJ, Fister TT. Understanding the Role of Overpotentials in Lithium Ion Conversion Reactions: Visualizing the Interface. Acs Nano. PMID 31117380 DOI: 10.1021/acsnano.9b02007  0.68
2019 Lee S, Halder A, Ferguson GA, Seifert S, Winans RE, Teschner D, Schlögl R, Papaefthimiou V, Greeley J, Curtiss LA, Vajda S. Subnanometer cobalt oxide clusters as selective low temperature oxidative dehydrogenation catalysts. Nature Communications. 10: 954. PMID 30814524 DOI: 10.1038/s41467-019-08819-5  0.32
2018 Li L, Zhang R, Vinson J, Shirley EL, Greeley JP, Guest JR, Chan MKY. Imaging Catalytic Activation of CO on CuO (110): A First-Principles Study. Chemistry of Materials : a Publication of the American Chemical Society. 30. PMID 31080315 DOI: 10.1021/acs.chemmater.7b04803  0.68
2018 Majidi L, Yasaei P, Warburton RE, Fuladi S, Cavin J, Hu X, Hemmat Z, Cho SB, Abbasi P, Vörös M, Cheng L, Sayahpour B, Bolotin IL, Zapol P, Greeley J, et al. New Class of Electrocatalysts Based on 2D Transition Metal Dichalcogenides in Ionic Liquid. Advanced Materials (Deerfield Beach, Fla.). e1804453. PMID 30500098 DOI: 10.1002/adma.201804453  0.32
2018 Wu Z, Bukowski BC, Li Z, Milligan C, Zhou L, Ma T, Wu Y, Ren Y, Ribeiro FH, Delgass WN, Greeley J, Zhang G, Miller JT. Changes in Catalytic and Adsorptive Properties of 2 nm PtMn Nanoparticles by Subsurface Atoms. Journal of the American Chemical Society. PMID 30351929 DOI: 10.1021/jacs.8b08162  0.36
2016 Warburton RE, Iddir H, Curtiss LA, Greeley JP. Thermodynamic Stability of Low and High Index Spinel LiMn2O4 Surface Terminations. Acs Applied Materials & Interfaces. PMID 27031889 DOI: 10.1021/acsami.6b01069  1
2016 Raciti D, Kubal J, Ma C, Barclay M, Gonzalez M, Chi M, Greeley J, More KL, Wang C. Pt3Re alloy nanoparticles as electrocatalysts for the oxygen reduction reaction Nano Energy. 20: 202-211. DOI: 10.1016/j.nanoen.2015.12.014  1
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  1
2015 Han CW, Majumdar P, Marinero EE, Aguilar-Tapia A, Zanella R, Greeley J, Ortalan V. Highly stable bimetallic AuIr/TiO2 catalyst: physical origins of the intrinsic high stability against sintering. Nano Letters. PMID 26495764 DOI: 10.1021/acs.nanolett.5b03585  1
2015 Yildirim H, Kinaci A, Chan MK, Greeley JP. First-Principles Analysis of Defect Thermodynamics and Ion Transport in Inorganic SEI Compounds: LiF and NaF. Acs Applied Materials & Interfaces. 7: 18985-96. PMID 26255641 DOI: 10.1021/acsami.5b02904  1
2015 Gharachorlou A, Detwiler MD, Gu XK, Mayr L, Klötzer B, Greeley J, Reifenberger RG, Delgass WN, Ribeiro FH, Zemlyanov DY. Trimethylaluminum and Oxygen Atomic Layer Deposition on Hydroxyl-Free Cu(111). Acs Applied Materials & Interfaces. 7: 16428-39. PMID 26158796 DOI: 10.1021/acsami.5b03598  1
2015 Clayborne A, Chun HJ, Rankin RB, Greeley J. Elucidation of Pathways for NO Electroreduction on Pt(111) from First Principles. Angewandte Chemie (International Ed. in English). 54: 8255-8. PMID 26053610 DOI: 10.1002/anie.201502104  1
2015 Lei Y, Liu B, Lu J, Lin X, Gao L, Guisinger NP, Greeley JP, Elam JW. Synthesis of palladium nanoparticles on TiO2(110) using a beta-diketonate precursor. Physical Chemistry Chemical Physics : Pccp. 17: 6470-7. PMID 25657070 DOI: 10.1039/c4cp05761a  1
2015 Lau KC, Qiu D, Luo X, Greeley J, Curtiss LA, Lu J, Amine K. Theoretical exploration of various lithium peroxide crystal structures in a li-air battery Energies. 8: 529-548. DOI: 10.3390/en8010529  1
2015 Gharachorlou A, Detwiler MD, Mayr L, Gu XK, Greeley J, Reifenberger RG, Delgass WN, Ribeiro FH, Zemlyanov DY. Surface Chemistry of Trimethylaluminum on Pd(111) and Pt(111) Journal of Physical Chemistry C. 119: 19059-19072. DOI: 10.1021/jp512915f  1
2015 Detwiler MD, Gharachorlou A, Mayr L, Gu XK, Liu B, Greeley J, Delgass WN, Ribeiro FH, Zemlyanov DY. Reaction of trimethylaluminum with water on Pt(111) and Pd(111) from 10-5 to 10-1 millibar Journal of Physical Chemistry C. 119: 2399-2411. DOI: 10.1021/jp510032u  1
2015 Gu XK, Liu B, Greeley J. First-Principles Study of Structure Sensitivity of Ethylene Glycol Conversion on Platinum Acs Catalysis. 5: 2623-2631. DOI: 10.1021/cs5019088  1
2015 Liu B, Zhou M, Chan MKY, Greeley JP. Understanding Polyol Decomposition on Bimetallic Pt-Mo Catalysts - A DFT Study of Glycerol Acs Catalysis. 5: 4942-4950. DOI: 10.1021/acscatal.5b01127  1
2015 Zeng Z, Chan MKY, Zhao ZJ, Kubal J, Fan D, Greeley J. Towards First Principles-Based Prediction of Highly Accurate Electrochemical Pourbaix Diagrams Journal of Physical Chemistry C. 119: 18177-18187. DOI: 10.1021/acs.jpcc.5b03169  1
2015 Greeley J, Gross A. Reactivity concepts at interfaces: Coupling theory with experiment Surface Science. DOI: 10.1016/j.susc.2015.05.024  1
2015 Detwiler MD, Majumdar P, Gu XK, Delgass WN, Ribeiro FH, Greeley J, Zemlyanov DY. Characterization and theory of Re films on Pt(111) grown by UHV-CVD Surface Science. DOI: 10.1016/j.susc.2015.05.015  1
2015 Zhao ZJ, Greeley JP. Identification of surface intermediates during ethylidyne formation on Pt(111) by calculation of infrared intensities and deuterium isotope shifts Surface Science. DOI: 10.1016/j.susc.2015.01.022  1
2014 Yildirim H, Kinaci A, Zhao ZJ, Chan MK, Greeley JP. First-principles analysis of defect-mediated Li adsorption on graphene. Acs Applied Materials & Interfaces. 6: 21141-50. PMID 25394787 DOI: 10.1021/am506008w  1
2014 Mistry H, Reske R, Zeng Z, Zhao ZJ, Greeley J, Strasser P, Cuenya BR. Exceptional size-dependent activity enhancement in the electroreduction of CO2 over Au nanoparticles. Journal of the American Chemical Society. 136: 16473-6. PMID 25325519 DOI: 10.1021/ja508879j  1
2014 Yildirim H, Greeley JP, Sankaranarayanan SK. localized order-disorder transitions induced by Li segregation in amorphous TiO2 nanoparticles. Acs Applied Materials & Interfaces. 6: 18962-70. PMID 25303039 DOI: 10.1021/am5048398  1
2014 Jaber-Ansari L, Puntambekar KP, Tavassol H, Yildirim H, Kinaci A, Kumar R, Saldaña SJ, Gewirth AA, Greeley JP, Chan MK, Hersam MC. Defect evolution in graphene upon electrochemical lithiation. Acs Applied Materials & Interfaces. 6: 17626-36. PMID 25265029 DOI: 10.1021/am503715g  1
2014 Zhang H, Gu XK, Canlas C, Kropf AJ, Aich P, Greeley JP, Elam JW, Meyers RJ, Dumesic JA, Stair PC, Marshall CL. Atomic layer deposition overcoating: tuning catalyst selectivity for biomass conversion. Angewandte Chemie (International Ed. in English). 53: 12132-6. PMID 25251418 DOI: 10.1002/anie.201407236  1
2014 Lei Y, Zhao H, Rivas RD, Lee S, Liu B, Lu J, Stach E, Winans RE, Chapman KW, Greeley JP, Miller JT, Chupas PJ, Elam JW. Adsorbate-induced structural changes in 1-3 nm platinum nanoparticles. Journal of the American Chemical Society. 136: 9320-6. PMID 24919812 DOI: 10.1021/ja4126998  1
2014 Zeng Z, Hansen MH, Greeley JP, Rossmeisl J, Björketun ME. Ab initio thermodynamic modeling of electrified metal-oxide interfaces: Consistent treatment of electronic and ionic chemical potentials Journal of Physical Chemistry C. 118: 22663-22671. DOI: 10.1021/jp507519a  1
2014 Lei Y, Liu B, Lu J, Libera JA, Greeley JP, Elam JW. Effects of chlorine in titanium oxide on palladium atomic layer deposition Journal of Physical Chemistry C. 118: 22611-22619. DOI: 10.1021/jp5067567  1
2014 Schweitzer NM, Hu B, Das U, Kim H, Greeley J, Curtiss LA, Stair PC, Miller JT, Hock AS. Propylene hydrogenation and propane dehydrogenation by a single-site Zn2+ on silica catalyst Acs Catalysis. 4: 1091-1098. DOI: 10.1021/cs401116p  1
2014 Cheng L, Yin C, Mehmood F, Liu B, Greeley J, Lee S, Lee B, Seifert S, Winans RE, Teschner D, Schlögl R, Vajda S, Curtiss LA. Reaction mechanism for direct propylene epoxidation by alumina-supported silver aggregates: The role of the particle/support interface Acs Catalysis. 4: 32-39. DOI: 10.1021/cs4009368  1
2014 Lu J, Liu B, Guisinger NP, Stair PC, Greeley JP, Elam JW. First-principles predictions and in situ experimental validation of alumina atomic layer deposition on metal surfaces Chemistry of Materials. 26: 6752-6761. DOI: 10.1021/cm503178j  1
2014 Liu B, Cheng L, Curtiss L, Greeley J. Effects of van der Waals density functional corrections on trends in furfural adsorption and hydrogenation on close-packed transition metal surfaces Surface Science. 622: 51-59. DOI: 10.1016/j.susc.2013.12.001  1
2014 Clay JP, Greeley JP, Ribeiro FH, Delgass WN, Schneider WF. DFT comparison of intrinsic WGS kinetics over Pd and Pt Journal of Catalysis. 320: 106-117. DOI: 10.1016/j.jcat.2014.09.026  1
2014 Zeng Z, Greeley J. Theoretical study of CO adsorption on Au catalysts under environmental catalytic conditions Catalysis Communications. 52: 78-83. DOI: 10.1016/j.catcom.2014.03.016  1
2014 Lau KC, Curtiss LA, Chan MKY, Greeley JP. Atomistic and first principles: Computational studies of LiO2 batteries The Lithium Air Battery: Fundamentals. 159-177. DOI: 10.1007/978-1-4899-8062-5_5  1
2014 Choksi T, Greeley J. A DFT study of partial oxidation of methanol on MoO3 (010) Catalysis and Reaction Engineering Division 2014 - Core Programming Area At the 2014 Aiche Annual Meeting. 1: 506.  1
2014 Chun HJ, Clayborne PA, Rankin RB, Greeley JP. NO electrochemical reduction on Pt electrocatalyst: A DFT approach Catalysis and Reaction Engineering Division 2014 - Core Programming Area At the 2014 Aiche Annual Meeting. 2: 613.  1
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  0.4
2013 Xiong H, Yildirim H, Podsiadlo P, Zhang J, Prakapenka VB, Greeley JP, Shevchenko EV, Zhuravlev KK, Tkachev S, Sankaranarayanan SK, Rajh T. Compositional tuning of structural stability of lithiated cubic titania via a vacancy-filling mechanism under high pressure. Physical Review Letters. 110: 078304. PMID 25166416 DOI: 10.1103/PhysRevLett.110.078304  1
2013 O'Neill BJ, Jackson DH, Crisci AJ, Farberow CA, Shi F, Alba-Rubio AC, Lu J, Dietrich PJ, Gu X, Marshall CL, Stair PC, Elam JW, Miller JT, Ribeiro FH, Voyles PM, ... Greeley J, et al. Stabilization of copper catalysts for liquid-phase reactions by atomic layer deposition. Angewandte Chemie (International Ed. in English). 52: 13808-12. PMID 24282166 DOI: 10.1002/anie.201308245  1
2013 Kwon G, Ferguson GA, Heard CJ, Tyo EC, Yin C, DeBartolo J, Seifert S, Winans RE, Kropf AJ, Greeley J, Johnston RL, Curtiss LA, Pellin MJ, Vajda S. Size-dependent subnanometer Pd cluster (Pd4, Pd6, and Pd17) water oxidation electrocatalysis. Acs Nano. 7: 5808-17. PMID 23799858 DOI: 10.1021/nn400772s  1
2013 Lu J, Jung HJ, Lau KC, Zhang Z, Schlueter JA, Du P, Assary RS, Greeley J, Ferguson GA, Wang HH, Hassoun J, Iddir H, Zhou J, Zuin L, Hu Y, et al. Magnetism in lithium-oxygen discharge product. Chemsuschem. 6: 1196-202. PMID 23670967 DOI: 10.1002/cssc.201300223  1
2013 Siahrostami S, Björketun ME, Strasser P, Greeley J, Rossmeisl J. Tandem cathode for proton exchange membrane fuel cells. Physical Chemistry Chemical Physics : Pccp. 15: 9326-34. PMID 23661187 DOI: 10.1039/c3cp51479j  1
2013 Liu B, Greeley J. A density functional theory analysis of trends in glycerol decomposition on close-packed transition metal surfaces. Physical Chemistry Chemical Physics : Pccp. 15: 6475-85. PMID 23529559 DOI: 10.1039/c3cp44088e  1
2013 Smerdon JA, Rankin RB, Greeley JP, Guisinger NP, Guest JR. Chiral "pinwheel" heterojunctions self-assembled from C60 and pentacene. Acs Nano. 7: 3086-94. PMID 23488794 DOI: 10.1021/nn304992c  1
2013 Tavassol H, Chan MKY, Catarello MG, Greeley J, Cahill DG, Gewirtha AA. Surface coverage and SEI induced electrochemical surface stress changes during Li deposition in a model system for li-ion battery anodes Journal of the Electrochemical Society. 160: A888-A896. DOI: 10.1149/2.068306jes  1
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 Journal of Physical Chemistry Letters. 4: 222-226. DOI: 10.1021/jz3018286  1
2013 Lei Y, Lu J, Zhao H, Liu B, Low KB, Wu T, Libera JA, Greeley JP, Chupas PJ, Miller JT, Elam JW. Resolving precursor deligation, surface species evolution, and nanoparticle nucleation during palladium atomic layer deposition Journal of Physical Chemistry C. 117: 11141-11148. DOI: 10.1021/jp401196f  1
2013 Yitamben EN, Niebergall L, Rankin RB, Iski EV, Rosenberg RA, Greeley JP, Stepanyuk VS, Guisinger NP. Tracking amino acids in chiral quantum corrals Journal of Physical Chemistry C. 117: 11757-11763. DOI: 10.1021/jp400074r  1
2013 Yildirim H, Greeley JP, Sankaranarayanan SKRS. Concentration-dependent ordering of lithiated amorphous TiO2 Journal of Physical Chemistry C. 117: 3834-3845. DOI: 10.1021/jp312079r  1
2013 Trahey L, Karan NK, Chan MKY, Lu J, Ren Y, Greeley J, Balasubramanian M, Burrell AK, Curtiss LA, Thackeray MM. Synthesis, characterization, and structural modeling of high-capacity, dual functioning MnO2 electrode/ electrocatalysts for Li-O2 cells Advanced Energy Materials. 3: 75-84. DOI: 10.1002/aenm.201200037  1
2013 Zeng Z, Greeley J. Bifunctional alkaline electrocatalysts for HOR and HER: A first-principles study Engineering Sciences and Fundamentals 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 2: 929.  1
2013 O'Neill BJ, Jackson D, Crisci AJ, Farberow CA, Lu J, Dietrich PJ, Li T, Ribeiro FH, Miller JT, Winans R, Elam JW, Greeley J, Mavrikakis M, Scott SL, Kuech TF, et al. Stabilization by atomic layer deposition of copper catalysts for liquid phase reactions Fuels and Petrochemicals Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 130-131.  1
2013 O'Neill BJ, Jackson D, Crisci AJ, Farberow CA, Lu J, Dietrich PJ, Li T, Ribeiro FH, Miller JT, Winans R, Elam JW, Greeley J, Mavrikakis M, Scott SL, Kuech TF, et al. Stabilization by atomic layer deposition of copper catalysts for liquid phase reactions Fuels and Petrochemicals Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 130-131.  1
2012 Wang C, Li D, Chi M, Pearson J, Rankin RB, Greeley J, Duan Z, Wang G, van der Vliet D, More KL, Markovic NM, Stamenkovic VR. Rational Development of Ternary Alloy Electrocatalysts. The Journal of Physical Chemistry Letters. 3: 1668-73. PMID 26285726 DOI: 10.1021/jz300563z  0.96
2012 Assary RS, Kim T, Low JJ, Greeley J, Curtiss LA. Glucose and fructose to platform chemicals: understanding the thermodynamic landscapes of acid-catalysed reactions using high-level ab initio methods. Physical Chemistry Chemical Physics : Pccp. 14: 16603-11. PMID 22932938 DOI: 10.1039/c2cp41842h  1
2012 Chan MK, Wolverton C, Greeley JP. First principles simulations of the electrochemical lithiation and delithiation of faceted crystalline silicon. Journal of the American Chemical Society. 134: 14362-74. PMID 22817384 DOI: 10.1021/ja301766z  1
2012 Greeley JP. Chemistry. Active site of an industrial catalyst. Science (New York, N.Y.). 336: 810-1. PMID 22605738 DOI: 10.1126/science.1222974  1
2012 Mehmood F, Rankin RB, Greeley J, Curtiss LA. Trends in methanol decomposition on transition metal alloy clusters from scaling and Brønsted-Evans-Polanyi relationships. Physical Chemistry Chemical Physics : Pccp. 14: 8644-52. PMID 22588638 DOI: 10.1039/c2cp00052k  1
2012 Subbaraman R, Tripkovic D, Chang KC, Strmcnik D, Paulikas AP, Hirunsit P, Chan M, Greeley J, Stamenkovic V, Markovic NM. Trends in activity for the water electrolyser reactions on 3d M(Ni,Co,Fe,Mn) hydr(oxy)oxide catalysts. Nature Materials. 11: 550-7. PMID 22561903 DOI: 10.1038/nmat3313  1
2012 Yildirim H, Greeley JP, Sankaranarayanan SK. The effect of concentration on Li diffusivity and conductivity in rutile TiO2. Physical Chemistry Chemical Physics : Pccp. 14: 4565-76. PMID 22354386 DOI: 10.1039/c2cp22731b  1
2012 van der Vliet DF, Wang C, Li D, Paulikas AP, Greeley J, Rankin RB, Strmcnik D, Tripkovic D, Markovic NM, Stamenkovic VR. Unique electrochemical adsorption properties of Pt-skin surfaces. Angewandte Chemie (International Ed. in English). 51: 3139-42. PMID 22351117 DOI: 10.1002/anie.201107668  1
2012 Greeley J. Computational studies of trends in electrocatalysis Ecs Transactions. 45: 85-95. DOI: 10.1149/1.3701970  1
2012 Landis DD, Hummelshøj JS, Nestorov S, Greeley J, Dul?ak M, Bligaard T, Nørskov JK, Jacobsen KW. The computational materials repository Computing in Science and Engineering. 14: 51-57. DOI: 10.1109/MCSE.2012.16  1
2012 Greeley J, Markovic NM. The road from animal electricity to green energy: Combining experiment and theory in electrocatalysis Energy and Environmental Science. 5: 9246-9256. DOI: 10.1039/c2ee21754f  1
2012 Wang C, Li D, Chi M, Pearson J, Rankin RB, Greeley J, Duan Z, Wang G, Van Der Vliet D, More KL, Markovic NM, Stamenkovic VR. Rational development of ternary alloy electrocatalysts Journal of Physical Chemistry Letters. 3: 1668-1673. DOI: 10.1021/jz300563z  1
2012 Yildirim H, Sankaranarayanan SKRS, Greeley JP. Periodic trends in adsorption and activation energies for heterometallic diffusion on (100) transition metal surfaces Journal of Physical Chemistry C. 116: 22469-22475. DOI: 10.1021/jp3089275  1
2012 Lau KC, Assary RS, Redfern P, Greeley J, Curtiss LA. Electronic structure of lithium peroxide clusters and relevance to lithium-air batteries Journal of Physical Chemistry C. 116: 23890-23896. DOI: 10.1021/jp306024f  1
2012 Ferguson GA, Yin C, Kwon G, Tyo EC, Lee S, Greeley JP, Zapol P, Lee B, Seifert S, Winans RE, Vajda S, Curtiss LA. Stable subnanometer cobalt oxide clusters on ultrananocrystalline diamond and alumina supports: Oxidation state and the origin of sintering resistance Journal of Physical Chemistry C. 116: 24027-24034. DOI: 10.1021/jp3041956  1
2012 Holby EF, Greeley J, Morgan D. Thermodynamics and hysteresis of oxide formation and removal on platinum (111) surfaces Journal of Physical Chemistry C. 116: 9942-9946. DOI: 10.1021/jp210805z  1
2012 Xiong H, Yildirim H, Shevchenko EV, Prakapenka VB, Koo B, Slater MD, Balasubramanian M, Sankaranarayanan SKRS, Greeley JP, Tepavcevic S, Dimitrijevic NM, Podsiadlo P, Johnson CS, Rajh T. Self-improving anode for lithium-ion batteries based on amorphous to cubic phase transition in TiO 2 nanotubes Journal of Physical Chemistry C. 116: 3181-3187. DOI: 10.1021/jp210793u  1
2012 Rankin RB, Greeley J. Trends in selective hydrogen peroxide production on transition metal surfaces from first principles Acs Catalysis. 2: 2664-2672. DOI: 10.1021/cs3003337  1
2012 Lu J, Liu B, Greeley JP, Feng Z, Libera JA, Lei Y, Bedzyk MJ, Stair PC, Elam JW. Porous alumina protective coatings on palladium nanoparticles by self-poisoned atomic layer deposition Chemistry of Materials. 24: 2047-2055. DOI: 10.1021/cm300203s  1
2012 Lei Y, Liu B, Lu J, Lobo-Lapidus RJ, Wu T, Feng H, Xia X, Mane AU, Libera JA, Greeley JP, Miller JT, Elam JW. Synthesis of Pt-Pd core-shell nanostructures by atomic layer deposition: Application in propane oxidative dehydrogenation to propylene Chemistry of Materials. 24: 3525-3533. DOI: 10.1021/cm300080w  1
2012 Liu B, Greeley J. Density functional theory study of selectivity considerations for C-C versus C-O bond scission in glycerol decomposition on Pt(111) Topics in Catalysis. 55: 280-289. DOI: 10.1007/s11244-012-9806-2  1
2012 Ferguson GA, Mehmood F, Rankin RB, Greeley JP, Vajda S, Curtiss LA. Exploring computational design of size-specific subnanometer clusters catalysts Topics in Catalysis. 55: 353-365. DOI: 10.1007/s11244-012-9804-4  1
2012 Rankin RB, Greeley J. Development of volcano plots for selected reactions in heterogeneous catalysis and electrocatalysis Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 0.96
2011 Truong TT, Qin Y, Ren Y, Chen Z, Chan MK, Greeley JP, Amine K, Sun Y. Single-crystal silicon membranes with high lithium conductivity and application in lithium-air batteries. Advanced Materials (Deerfield Beach, Fla.). 23: 4947-52. PMID 21959595 DOI: 10.1002/adma.201102449  1
2011 Assary RS, Redfern PC, Greeley J, Curtiss LA. Mechanistic insights into the decomposition of fructose to hydroxy methyl furfural in neutral and acidic environments using high-level quantum chemical methods. The Journal of Physical Chemistry. B. 115: 4341-9. PMID 21443225 DOI: 10.1021/jp1104278  1
2011 Wang C, van der Vliet D, More KL, Zaluzec NJ, Peng S, Sun S, Daimon H, Wang G, Greeley J, Pearson J, Paulikas AP, Karapetrov G, Strmcnik D, Markovic NM, Stamenkovic VR. Multimetallic Au/FePt3 nanoparticles as highly durable electrocatalyst. Nano Letters. 11: 919-26. PMID 20704335 DOI: 10.1021/nl102369k  1
2011 Chan MKY, Long BR, Gewirth AA, Greeley JP. The first-cycle electrochemical lithiation of crystalline Ge: Dopant and orientation dependence and comparison with Si Journal of Physical Chemistry Letters. 2: 3092-3095. DOI: 10.1021/jz201432d  1
2011 Zhang Z, Lu J, Assary RS, Du P, Wang HH, Sun YK, Qin Y, Lau KC, Greeley J, Redfern PC, Iddir H, Curtiss LA, Amine K. Increased stability toward oxygen reduction products for lithium-air batteries with oligoether-functionalized silane electrolytes Journal of Physical Chemistry C. 115: 25535-25542. DOI: 10.1021/jp2087412  1
2011 Lau KC, Curtiss LA, Greeley J. Density functional investigation of the thermodynamic stability of lithium oxide bulk crystalline structures as a function of oxygen pressure Journal of Physical Chemistry C. 115: 23625-23633. DOI: 10.1021/jp206796h  1
2011 Cheng L, Curtiss LA, Assary RS, Greeley J, Kerber T, Sauer J. Adsorption and diffusion of fructose in zeolite HZSM-5: Selection of models and methods for computational studies Journal of Physical Chemistry C. 115: 21785-21790. DOI: 10.1021/jp2062018  1
2011 Long BR, Chan MKY, Greeley JP, Gewirth AA. Dopant modulated Li insertion in Si for battery anodes: Theory and experiment Journal of Physical Chemistry C. 115: 18916-18921. DOI: 10.1021/jp2060602  1
2011 Liu B, Greeley J. Decomposition pathways of glycerol via C-H, O-H, and C-C bond scission on Pt(111): A density functional theory study Journal of Physical Chemistry C. 115: 19702-19709. DOI: 10.1021/jp202923w  1
2011 Yildirim H, Greeley J, Sankaranarayanan SKRS. Effect of concentration on the energetics and dynamics of Li ion transport in anatase and amorphous TiO2 Journal of Physical Chemistry C. 115: 15661-15673. DOI: 10.1021/jp202514j  1
2011 Kandoi S, Greeley J, Simonetti D, Shabaker J, Dumesic JA, Mavrikakis M. Reaction kinetics of ethylene glycol reforming over platinum in the vapor versus aqueous phases Journal of Physical Chemistry C. 115: 961-971. DOI: 10.1021/jp104136s  1
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  1
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  1
2011 Curtiss LA, Lau KC, Redfern P, Greeley J, Zhang Z, Amine K. Computational studies of electrolyte stability for Li-air batteries Acs National Meeting Book of Abstracts 1
2011 Greeley JP, Chan M. First-principles study of surface and interfacial chemistry in silicon anodes Acs National Meeting Book of Abstracts 1
2011 Greeley J. First principles studies of transition metal-catalyzed production and reaction of hydrogen Acs National Meeting Book of Abstracts 1
2011 Liu B, Greeley JP. DFT investigations of the conversion of biomass-derived compounds into fuels and chemicals by noble metal catalysis Acs National Meeting Book of Abstracts 1
2011 Surendran R, Curtiss ALA, Paul RC, Greeley J. Toward the molecular level understanding of reactions involved in the biomass catalysis Acs National Meeting Book of Abstracts 1
2011 Greeley JP. Computational descriptions of catalytic biomass conversion Acs National Meeting Book of Abstracts 1
2011 Vajda S, Lee S, Di Vece M, Lee B, Seifert S, Winans RE, Ferguson GA, Curtiss LA, Greeley JP, Qian Q, Neurock M, Goergen S, Si R, Stephanopoulos M, Wang X, et al. Size-and composition optimized sub-nanometer and nm size catalysts for low-temperature jet-fuel activation Acs National Meeting Book of Abstracts 1
2010 Mehmood F, Greeley J, Zapol P, Curtiss LA. Comparative density functional study of methanol decomposition on Cu4 and Co4 clusters. The Journal of Physical Chemistry. B. 114: 14458-66. PMID 20704288 DOI: 10.1021/jp101594z  1
2010 Assary RS, Redfern PC, Hammond JR, Greeley J, Curtiss LA. Computational studies of the thermochemistry for conversion of glucose to levulinic acid. The Journal of Physical Chemistry. B. 114: 9002-9. PMID 20572641 DOI: 10.1021/jp101418f  1
2010 Strasser P, Koh S, Anniyev T, Greeley J, More K, Yu C, Liu Z, Kaya S, Nordlund D, Ogasawara H, Toney MF, Nilsson A. Lattice-strain control of the activity in dealloyed core-shell fuel cell catalysts. Nature Chemistry. 2: 454-60. PMID 20489713 DOI: 10.1038/nchem.623  1
2010 Lei Y, Mehmood F, Lee S, Greeley J, Lee B, Seifert S, Winans RE, Elam JW, Meyer RJ, Redfern PC, Teschner D, Schlögl R, Pellin MJ, Curtiss LA, Vajda S. Increased silver activity for direct propylene epoxidation via subnanometer size effects. Science (New York, N.Y.). 328: 224-8. PMID 20378815 DOI: 10.1126/science.1185200  1
2010 Ramanathan M, Li B, Greeley J, Prakash J. Microstructure - ORR activity relationships in Pd3M (M = Cu, Ni, Fe) electrocatalysts synthesized at various temperatures Ecs Transactions. 33: 181-190. DOI: 10.1149/13484515  1
2010 Lee S, Lee B, Mehmood F, Seifert S, Libera JA, Elam JW, Greeley J, Zapol P, Curtiss LA, Pellin MJ, Stair PC, Winans RE, Vajda S. Oxidative decomposition of methanol on subnanometer palladium clusters: The effect of catalyst size and support composition Journal of Physical Chemistry C. 114: 10342-10348. DOI: 10.1021/jp912220w  1
2010 Greeley J. Structural effects on trends in the deposition and dissolution of metal-supported metal adstructures Electrochimica Acta. 55: 5545-5550. DOI: 10.1016/j.electacta.2010.04.055  1
2010 Assary RS, Redfern PC, Hammond JR, Greeley J, Curtiss LA. Predicted thermochemistry for chemical conversions of 5- hydroxymethylfurfural Chemical Physics Letters. 497: 123-128. DOI: 10.1016/j.cplett.2010.07.082  1
2010 Curtiss LA, Greeley J, Redfern P, Zapol P, Vajda S, Zygmunt S. Density functional studies of subnanometer clusters: The role of size and support on their catalytic activity Acs National Meeting Book of Abstracts 1
2010 Greeley JP, Torres-Rangel D. Electronic and structural effects on subnanometer metal catalysis Acs National Meeting Book of Abstracts 1
2010 Curtiss L, Greeley J, Vadja S. Tiny trimer, big result Chemical Engineer. 46-48.  1
2009 Greeley J, Stephens IE, Bondarenko AS, Johansson TP, Hansen HA, Jaramillo TF, Rossmeisl J, Chorkendorff I, Nørskov JK. Alloys of platinum and early transition metals as oxygen reduction electrocatalysts. Nature Chemistry. 1: 552-6. PMID 21378936 DOI: 10.1038/nchem.367  0.6
2009 Strmcnik D, Kodama K, van der Vliet D, Greeley J, Stamenkovic VR, Markovi? NM. The role of non-covalent interactions in electrocatalytic fuel-cell reactions on platinum. Nature Chemistry. 1: 466-72. PMID 21378914 DOI: 10.1038/nchem.330  1
2009 Lucas CA, Thompson P, Cormack M, Brownrigg A, Fowler B, Strmcnik D, Stamenkovic V, Greeley J, Menzel A, You H, Markovi? NM. Temperature-induced ordering of metal/adsorbate structures at electrochemical interfaces. Journal of the American Chemical Society. 131: 7654-61. PMID 19489644 DOI: 10.1021/ja9014666  1
2009 Vajda S, Pellin MJ, Greeley JP, Marshall CL, Curtiss LA, Ballentine GA, Elam JW, Catillon-Mucherie S, Redfern PC, Mehmood F, Zapol P. Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane. Nature Materials. 8: 213-6. PMID 19202544 DOI: 10.1038/nmat2384  1
2009 Li B, Greeley J, Prakash J. Understanding the oxygen reduction reaction on Pd-based alloys (Pd-M, M=Ni, Co) surfaces using density functional theory calculations Ecs Transactions. 19: 109-116. DOI: 10.1149/1.3265874  1
2009 Mehmood F, Greeley J, Curtiss LA. Density functional studies of methanol decomposition on subnanometer Pd clusters Journal of Physical Chemistry C. 113: 21789-21796. DOI: 10.1021/jp907772c  1
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  1
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  0.4
2008 Strmcnik DS, Tripkovic DV, van der Vliet D, Chang KC, Komanicky V, You H, Karapetrov G, Greeley JP, Stamenkovic VR, Markovi? NM. Unique activity of platinum adislands in the CO electrooxidation reaction. Journal of the American Chemical Society. 130: 15332-9. PMID 18942789 DOI: 10.1021/ja8032185  1
2008 Strasser P, Koh S, Greeley J. Voltammetric surface dealloying of Pt bimetallic nanoparticles: an experimental and DFT computational analysis. Physical Chemistry Chemical Physics : Pccp. 10: 3670-83. PMID 18563228 DOI: 10.1039/b803717e  1
2008 Greeley J. First-principles investigations of electrocatalysis and corrosion Ecs Transactions. 16: 209-213. DOI: 10.1149/1.2981856  1
2008 Ferrin P, Nilekar AU, Greeley J, Mavrikakis M, Rossmeisl J. Reactivity descriptors for direct methanol fuel cell anode catalysts Surface Science. 602: 3424-3431. DOI: 10.1016/j.susc.2008.08.011  1
2008 Rossmeisl J, Greeley J, Karlberg GS. Electrocatalysis and Catalyst Screening from Density Functional Theory Calculations Fuel Cell Catalysis: a Surface Science Approach. 57-92. DOI: 10.1002/9780470463772.ch3  1
2008 Greeley J, Markovic N, Stamenkovic V. Stability and reactivity of metal-supported metal adclusters Aiche Annual Meeting, Conference Proceedings 1
2008 Greeley JP. First-principles investigations of electrochemistry Acs National Meeting Book of Abstracts 1
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  0.6
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  0.6
2007 Greeley J, Rossmeisl J, Hellman A, Nørskov JK. Theoretical trends in particle size effects for the oxygen reduction reaction Zeitschrift Fur Physikalische Chemie. 221: 1209-1220. DOI: 10.1524/zpch.2007.221.9-10.1209  0.6
2007 Greeley J, Mavrikakis M. On the role of subsurface oxygen and ethylenedioxy in ethylene epoxidation on silver Journal of Physical Chemistry C. 111: 7992-7999. DOI: 10.1021/jp070490i  1
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  0.4
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  0.4
2007 Greeley JP. Nanoscale investigations of electrocatalysts from first principles Acs National Meeting Book of Abstracts 1
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  0.4
2006 Nilekar AU, Greeley J, Mavrikakis M. A simple rule of thumb for diffusion on transition-metal surfaces. Angewandte Chemie (International Ed. in English). 45: 7046-9. PMID 17009349 DOI: 10.1002/anie.200602223  1
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  0.6
2006 Greeley J, Nørskov JK, Kibler LA, El-Aziz AM, Kolb DM. Hydrogen evolution over bimetallic systems: understanding the trends. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 1032-5. PMID 16557633 DOI: 10.1002/cphc.200500663  0.4
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  0.4
2006 Greeley J, Mavrikakis M. Near-surface alloys for hydrogen fuel cell applications Catalysis Today. 111: 52-58. DOI: 10.1016/j.cattod.2005.10.009  1
2006 Kandoi S, Greeley J, Sanchez-Castillo MA, Evans ST, Gokhale AA, Dumesic JA, Mavrikakis M. Prediction of experimental methanol decomposition rates on platinum from first principles Topics in Catalysis. 37: 17-27. DOI: 10.1007/s11244-006-0001-1  1
2005 Greeley J, Mavrikakis M. Surface and subsurface hydrogen: adsorption properties on transition metals and near-surface alloys. The Journal of Physical Chemistry. B. 109: 3460-71. PMID 16851380 DOI: 10.1021/jp046540q  1
2005 Xu Y, Greeley J, Mavrikakis M. Effect of subsurface oxygen on the reactivity of the Ag(111) surface. Journal of the American Chemical Society. 127: 12823-7. PMID 16159275 DOI: 10.1021/ja043727m  1
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  0.4
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  0.4
2004 Greeley J, Mavrikakis M. Alloy catalysts designed from first principles. Nature Materials. 3: 810-5. PMID 15502837 DOI: 10.1038/nmat1223  1
2004 Greeley J, Krekelberg WP, Mavrikakis M. Strain-induced formation of subsurface species in transition metals. Angewandte Chemie (International Ed. in English). 43: 4296-300. PMID 15368376 DOI: 10.1002/anie.200454062  1
2004 Greeley J, Mavrikakis M. Competitive paths for methanol decomposition on Pt(111). Journal of the American Chemical Society. 126: 3910-9. PMID 15038745 DOI: 10.1021/ja037700z  1
2004 Gokhale AA, Kandoi S, Greeley JP, Mavrikakis M, Dumesic JA. Molecular-level descriptions of surface chemistry in kinetic models using density functional theory Chemical Engineering Science. 59: 4679-4691. DOI: 10.1016/jces.2004.09.038  1
2004 Krekelberg WP, Greeley J, Mavrikakis M. Atomic and molecular adsorption on Ir(111) Journal of Physical Chemistry B. 108: 987-994.  1
2003 Wintterlin J, Zambelli T, Trost J, Greeley J, Mavrikakis M. Atomic-scale evidence for an enhanced catalytic reactivity of stretched surfaces. Angewandte Chemie (International Ed. in English). 42: 2850-3. PMID 12833339 DOI: 10.1002/anie.200250845  1
2003 Greeley J, Mavrikakis M. A first-principles study of surface and subsurface H on and in Ni(1 1 1): Diffusional properties and coverage-dependent behavior Surface Science. 540: 215-229. DOI: 10.1016/S0039-6028(03)00790-8  1
2003 Greeley J, Gokhale AA, Kreuser J, Dumesic JA, Topsøe H, Topsøe NY, Mavrikakis M. CO vibrational frequencies on methanol synthesis catalysts: A DFT study Journal of Catalysis. 213: 63-72. DOI: 10.1016/S0021-9517(02)00040-4  1
2002 Greeley J, Mavrikakis M. A first-principles study of methanol decomposition on Pt(111). Journal of the American Chemical Society. 124: 7193-201. PMID 12059245 DOI: 10.1021/ja017818k  1
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  1
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  1
2002 Alcalá R, Greeley J, Mavrikakis M, Dumesic JA. Density-functional theory studies of acetone and propanal hydrogenation on Pt(111) Journal of Chemical Physics. 116: 8973-8980. DOI: 10.1063/1.1471247  1
2002 Greeley J, Mavrikakis M. Methanol decomposition on Cu(111): A DFT study Journal of Catalysis. 208: 291-300. DOI: 10.1006/jcat.2002.3586  1
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