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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 NÝrskov, J Rossmeisl, A Logadottir, L Lindqvist, JR Kitchin, T Bligaard, ...
The Journal of Physical Chemistry B 108 (46), 17886-17892, 2004
103262004
Trends in the exchange current for hydrogen evolution
JK NÝrskov, T Bligaard, A Logadottir, JR Kitchin, JG Chen, S Pandelov, ...
Journal of The Electrochemical Society 152 (3), J23, 2005
48482005
Universality in oxygen evolution electrocatalysis on oxide surfaces
IC Man, HY Su, F Calle‐Vallejo, HA Hansen, JI MartŪnez, NG Inoglu, ...
ChemCatChem 3 (7), 1159-1165, 2011
38482011
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
34062017
Role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfaces
JR Kitchin, JK NÝrskov, MA Barteau, JG Chen
Physical review letters 93 (15), 156801, 2004
15042004
Modification of the surface electronic and chemical properties of Pt (111) by subsurface 3d transition metals
JR Kitchin, JK NÝrskov, MA Barteau, JG Chen
The Journal of chemical physics 120 (21), 10240-10246, 2004
14302004
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
6472012
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
5102012
Machine learning in catalysis
JR Kitchin
Nature Catalysis 1 (4), 230-232, 2018
3982018
Trends in the chemical properties of early transition metal carbide surfaces: A density functional study
JR Kitchin, JK NÝrskov, MA Barteau, JG Chen
Catalysis Today 105 (1), 66-73, 2005
3662005
Number of Outer Electrons as Descriptor of the Reactivity of Transition Metals and Their Oxides
F Calle-Vallejo, NG Inoglu, HY Su, JI MartŪnez, IC Man, MTM Koper, ...
Chemical Science 4, 1245-1249, 2013
315*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
2632009
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
2432016
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
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
1712008
pybliometrics: Scriptable bibliometrics using a Python interface to Scopus
ME Rose, JR Kitchin
SoftwareX 10, 100263, 2019
1592019
Investigating the reactivity of single atom alloys using density functional theory
H Thirumalai, JR Kitchin
Topics in Catalysis 61, 462-474, 2018
1462018
Evaluation of a Primary Amine-Functionalized Ion-Exchange Resin for CO2 Capture
WR Alesi Jr, JR Kitchin
Industrial & engineering chemistry research 51 (19), 6907-6915, 2012
1312012
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
1292014
Alkaline electrolyte and Fe impurity effects on the performance and active-phase structure of NiOOH thin films for OER catalysis applications
JD Michael, EL Demeter, SM Illes, Q Fan, JR Boes, JR Kitchin
The Journal of Physical Chemistry C 119 (21), 11475-11481, 2015
1272015
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