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Angewandte Chemie - International Edition

Volumn 51, Issue 51, 2012, Pages 12810-12814

Construction of Pourbaix diagrams for ruthenium-based water-oxidation catalysts by density functional theory

(5) Marenich, Aleksandr V a Majumdar, Abir a Lenz, Michelle a Cramer, Christopher J a Truhlar, Donald G a

a University of Minnesota (United States)

Author keywords

density functional theory; electrochemistry; Pourbaix diagrams; ruthenium catalysis; solvation models

Indexed keywords

DENSITY FUNCTIONALS; EQUILIBRIUM DIAGRAMS; POURBAIX DIAGRAM; RUTHENIUM CATALYSIS; SOLVATION MODELS; TRANSITION-METAL COMPLEX;

CATALYSTS; ELECTROCHEMISTRY; METAL COMPLEXES; RUTHENIUM; SOLVATION; TRANSITION METALS;

DENSITY FUNCTIONAL THEORY;

EID: 84870975542 PISSN: 14337851 EISSN: 15213773 Source Type: Journal
DOI: 10.1002/anie.201206012 Document Type: Article

Times cited : (58)

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