Surface Energy as a Descriptor of Catalytic Activity

Journal of Physical Chemistry C

Volumn 120, Issue 41, 2016, Pages 23698-23706

  Zhuang, Houlong ^a   Tkalych, Alexander J ^b   Carter, Emily A ^a  

^a Princeton University   (United States)

^b PRINCETON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CARBIDES; CATALYST ACTIVITY; CATALYSTS; COMPUTATION THEORY; CONTINUUM MECHANICS; DOPING (ADDITIVES); INTERFACIAL ENERGY; LATTICE CONSTANTS; LATTICE THEORY; LOCAL DENSITY APPROXIMATION; MOLYBDENUM; PALLADIUM; PLATINUM; SOLUTIONS; SURFACE PROPERTIES; TRANSITION METALS; TUNGSTEN; TUNGSTEN CARBIDE; VACUUM APPLICATIONS; VOLCANOES; WORK FUNCTION;

COMPUTATIONALLY EFFICIENT; EXCHANGE CURRENT DENSITIES; EXCHANGE-CORRELATION FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; HIGH THROUGHPUT SCREENING; HYDROGEN EVOLUTION REACTIONS; POLARIZABLE CONTINUUM MODEL; POTENTIAL OF ZERO CHARGE;

DENSITY FUNCTIONAL THEORY;

EID: 84992347172     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.6b09687     Document Type: Article

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