Multielectron, multisubstrate molecular catalysis of electrochemical reactions: Formal kinetic analysis in the total

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

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Cyrille Costentin1, Daniel G Nocera2, Casey N Brodsky3

  • 1Laboratoire d'Electrochimie Moléculaire, Unité Mixte de Recherche Université-CNRS No.7591, Université Paris Diderot, Sorbonne Paris Cité, 75205 Paris Cedex 13, France; dnocera@fas.harvard.edu cyrille.costentin@univ-paris-diderot.fr.

Proceedings of the National Academy of Sciences of the United States of America
|October 27, 2017
PubMed

Keywords:
cyclic voltammetryelectrochemistryenergy conversionhomogeneous mechanismtotal catalysis

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