Lewis–Brønsted acid pairs in Ga/H-ZSM-5 to catalyze dehydrogenation of light alkanes MW Schreiber, CP Plaisance, M Baumgärtl, K Reuter, A Jentys, ...
Journal of the American Chemical Society 140 (14), 4849-4859, 2018
257 2018 Structure sensitivity of the oxygen evolution reaction catalyzed by cobalt (II, III) oxide CP Plaisance, RA van Santen
Journal of the American Chemical Society 137 (46), 14660-14672, 2015
142 2015 Ketones from acid condensation using supported CeO2 catalysts: Effect of additives KM Dooley, AK Bhat, CP Plaisance, AD Roy
Applied Catalysis A: General 320, 122-133, 2007
114 2007 Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions MN Eric Christopher Dybeck, Craig Patrick Plaisance
Journal of Chemical Theory and Computation, 2017
88 2017 Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project JS Hummelshøj, DD Landis, J Voss, T Jiang, A Tekin, N Bork, M Dułak, ...
The Journal of chemical physics 131 (1), 2009
86 2009 Assessment of mean-field microkinetic models for CO methanation on stepped metal surfaces using accelerated kinetic Monte Carlo M Andersen, C Plaisance, K Reuter
J. Chem. Phys. 147, 152705, 2017
75 2017 Monte Carlo and density functional theory analysis of the distribution of gold and palladium atoms on JA Boscoboinik, C Plaisance, M Neurock, WT Tysoe
Physical Review B—Condensed Matter and Materials Physics 77 (4), 045422, 2008
71 2008 Perspective: On the active site model in computational catalyst screening K Reuter, CP Plaisance, H Oberhofer, M Andersen
The Journal of Chemical Physics 146 (4), 2017
62 2017 Addressing global uncertainty and sensitivity in first-principles based microkinetic models by an adaptive sparse grid approach S Döpking, CP Plaisance, D Strobusch, K Reuter, C Scheurer, S Matera
The Journal of Chemical Physics 148 (3), 2018
38 2018 A new computational interface for catalysis P Kravchenko, C Plaisance, D Hibbitts
32 2019 Stabilizing the B-site oxidation state in ABO 3 perovskite nanoparticles T Ofoegbuna, P Darapaneni, S Sahu, C Plaisance, JA Dorman
Nanoscale 11 (30), 14303-14311, 2019
29 2019 An implicit electrolyte model for plane wave density functional theory exhibiting nonlinear response and a nonlocal cavity definition SM Islam, F Khezeli, S Ringe, C Plaisance
The Journal of Chemical Physics 159 (23), 2023
28 2023 Constrained-orbital density functional theory. Computational method and applications to surface chemical processes CP Plaisance, RA Van Santen, K Reuter
Journal of Chemical Theory and Computation 13 (8), 3561-3574, 2017
24 2017 Quantum chemistry of the oxygen evolution reaction on cobalt (ii, iii) oxide–implications for designing the optimal catalyst CP Plaisance, K Reuter, RA van Santen
Faraday discussions 188, 199-226, 2016
24 2016 Zeolite and metal oxide catalysts for the production of dimethyl sulfide and methanethiol CP Plaisance, KM Dooley
Catalysis letters 128, 449-458, 2009
19 2009 Structure and decomposition pathways of vinyl acetate on clean and oxygen-covered Pd (100) Z Li, F Calaza, C Plaisance, M Neurock, WT Tysoe
The Journal of Physical Chemistry C 113 (3), 971-978, 2009
18 2009 Structure of the Au/Pd (100) alloy surface M Garvey, JA Boscoboinik, L Burkholder, J Walker, C Plaisance, ...
The Journal of Physical Chemistry C 116 (7), 4692-4697, 2012
13 2012 Kinetics-based computational catalyst design strategy for the oxygen evolution reaction on transition-metal oxide surfaces CP Plaisance, SD Beinlich, K Reuter
The Journal of Physical Chemistry C 123 (13), 8287-8303, 2018
10 2018 Communication—Electrocatalytic Coupling of Methane at Platinum Oxide Electrodes in Superacids G Li, Y Fang, C Arges, C Plaisance, J Flake
Journal of The Electrochemical Society 167 (15), 155503, 2020
8 2020 Role of phosphorous in transition metal phosphides for selective hydrogenolysis of hindered C–O bonds C Waldt, H Montalvo-Castro, A Almithn, Á Loaiza-Orduz, C Plaisance, ...
Journal of Catalysis 421, 403-418, 2023
7 2023 
Karsten ReuterDirector at Fritz-Haber-Institut der MPGDirección de correo verificada de fhi-berlin.mpg.de
