Computational Design Principles of Two-Center First-Row Transition Metal Oxide Oxygen Evolution Catalysts

Journal of Physical Chemistry C

Volumn 121, Issue 29, 2017, Pages 15665-15674

  Mavros, Michael G ^a   Shepherd, James J ^a   Tsuchimochi, Takashi ^a,b   McIsaac, Alexandra R ^a,c   Van Voorhis, Troy ^a  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^b KOBE UNIVERSITY   (Japan)

^c UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMOLECULES; CATALYSTS; CHEMICAL ANALYSIS; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; METAL ANALYSIS; METALLIC COMPOUNDS; PRINCIPAL COMPONENT ANALYSIS; REDOX REACTIONS; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

CATALYTICALLY-ACTIVE METALS; CHEMICAL DESCRIPTORS; COMPUTATIONAL DESIGN; FIRST ROW TRANSITION METALS; METAL OXIDE CATALYSTS; OXYGEN EVOLUTION REACTION; REACTION COORDINATES; SABATIER ANALYSIS;

METALS;

EID: 85026642104     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.7b02424     Document Type: Article

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