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John Kitchin
John Kitchin
Verified email at andrew.cmu.edu - Homepage
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Year
Origin of the overpotential for oxygen reduction at a fuel-cell cathode
JK Nørskov, J Rossmeisl, A Logadottir, L Lindqvist, JR Kitchin, T Bligaard, ...
The Journal of Physical Chemistry B 108 (46), 17886-17892, 2004
71262004
Trends in the exchange current for hydrogen evolution
JK Nørskov, T Bligaard, A Logadottir, JR Kitchin, JG Chen, S Pandelov, ...
Journal of The Electrochemical Society 152 (3), J23, 2005
33292005
Trends in the exchange current for hydrogen evolution
JK Nørskov, T Bligaard, A Logadottir, JR Kitchin, JG Chen, S Pandelov, ...
Journal of The Electrochemical Society 152 (3), J23, 2005
33172005
Trends in the exchange current for hydrogen evolution
JK Nørskov, T Bligaard, A Logadottir, JR Kitchin, JG Chen, S Pandelov, ...
Journal of The Electrochemical Society 152 (3), J23, 2005
33172005
Universality in oxygen evolution electrocatalysis on oxide surfaces
IC Man, HY Su, F Calle‐Vallejo, HA Hansen, JI Martínez, NG Inoglu, ...
ChemCatChem 3 (7), 1159-1165, 2011
27222011
The atomic simulation environment—a Python library for working with atoms
AH Larsen, JJ Mortensen, J Blomqvist, IE Castelli, R Christensen, ...
Journal of Physics: Condensed Matter 29 (27), 273002, 2017
18502017
Role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfaces
JR Kitchin, JK Nørskov, MA Barteau, JG Chen
Physical review letters 93 (15), 156801, 2004
12702004
Modification of the surface electronic and chemical properties of Pt(111) by subsurface transition metals
JR Kitchin, JK Nørskov, MA Barteau, JG Chen
The Journal of chemical physics 120 (21), 10240-10246, 2004
12172004
The outlook for improved carbon capture technology
ES Rubin, H Mantripragada, A Marks, P Versteeg, J Kitchin
Progress in energy and combustion science 38 (5), 630-671, 2012
5032012
Spectroscopic characterization of mixed Fe–Ni oxide electrocatalysts for the oxygen evolution reaction in alkaline electrolytes
J Landon, E Demeter, N Inoglu, C Keturakis, IE Wachs, R Vasic, ...
Acs Catalysis 2 (8), 1793-1801, 2012
4332012
Trends in the chemical properties of early transition metal carbide surfaces: A density functional study
JR Kitchin, JK Nørskov, MA Barteau, JG Chen
Catalysis Today 105 (1), 66-73, 2005
2902005
Machine learning in catalysis
JR Kitchin
Nature Catalysis 1 (4), 230-232, 2018
2442018
Number of Outer Electrons as Descriptor of the Reactivity of Transition Metals and Their Oxides
F Calle-Vallejo, NG Inoglu, HY Su, JI Martínez, IC Man, MTM Koper, ...
Chemical Science 4, 1245-1249, 2013
239*2013
Hydrogen dissociation and spillover on individual isolated palladium atoms
HL Tierney, AE Baber, JR Kitchin, ECH Sykes
Physical review letters 103 (24), 246102, 2009
2122009
Elucidation of the active surface and origin of the weak metal–hydrogen bond on Ni/Pt (1 1 1) bimetallic surfaces: A surface science and density functional theory study
JR Kitchin, NA Khan, MA Barteau, JG Chen, B Yakshinskiy, TE Madey
Surface Science 544 (2-3), 295-308, 2003
1922003
Toward benchmarking in catalysis science: best practices, challenges, and opportunities
T Bligaard, RM Bullock, CT Campbell, JG Chen, BC Gates, RJ Gorte, ...
Acs Catalysis 6 (4), 2590-2602, 2016
1792016
Alloy surface segregation in reactive environments: first-principles atomistic thermodynamics study of Ag 3 Pd (111) in oxygen atmospheres
JR Kitchin, K Reuter, M Scheffler
Physical Review B 77 (7), 075437, 2008
1522008
Relating the coverage dependence of oxygen adsorption on Au and Pt fcc (1 1 1) surfaces through adsorbate-induced surface electronic structure effects
SD Miller, JR Kitchin
Surface science 603 (5), 794-801, 2009
1002009
Effects of concentration, crystal structure, magnetism, and electronic structure method on first-principles oxygen vacancy formation energy trends in perovskites
MT Curnan, JR Kitchin
The Journal of Physical Chemistry C 118 (49), 28776-28790, 2014
972014
A Linear Response DFT+U Study of Trends in the Oxygen Evolution Activity of Transition Metal Rutile Dioxides
Z Xu, J Rossmeisl, JR Kitchin
The Journal of Physical Chemistry C 119 (9), 4827-4833, 2015
952015
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