Open AccessAb Initio-Based Kinetic Modeling for the Design of Molecular Catalysts: The Case of H2 Production Electrocatalysts
Author(s) -
Ming-Hsun Ho,
Roger Rousseau,
John A. Roberts,
Eric S. Wiedner,
Michel Dupuis,
Daniel L. DuBois,
R. Morris Bullock,
Simone Raugei
Publication year - 2015
Publication title -
acs catalysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 4.898
H-Index - 198
ISSN - 2155-5435
DOI - 10.1021/acscatal.5b01152
Subject(s) - overpotential , chemistry , electrocatalyst , catalysis , ab initio , thermodynamics , elementary reaction , kinetic energy , computational chemistry , chemical physics , electrochemistry , kinetics , organic chemistry , electrode , physics , quantum mechanics
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom