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ACS Catalysis

Volumn 5, Issue 2, 2015, Pages 1020-1026

Estimating bulk-composition-dependent H2 adsorption energies on CuxPd1- x alloy (111) surfaces

(5) Boes, Jacob R a Gumuslu, Gamze a Miller, James B a Gellman, Andrew J a Kitchin, John R a

a CARNEGIE MELLON UNIVERSITY (United States)

Author keywords

active site; density functional theory; Gibbs isotherm; palladiumhydride; reaction conditions; segregation; Vegards law

Indexed keywords

ADSORPTION; COPPER ALLOYS; DENSITY FUNCTIONAL THEORY; GAS ADSORPTION; HYDROGEN; PALLADIUM; PROBABILITY DISTRIBUTIONS; SEGREGATION (METALLOGRAPHY);

ACTIVE SITE; ADSORPTION ENERGIES; DISSOCIATIVE ADSORPTION; HYDROGEN ADSORPTION; PALLADIUM HYDRIDE; REACTION CONDITIONS; VEGARDS LAWS; WEIGHTED AVERAGES;

ALLOYS;

EID: 84923164062 PISSN: 21555435 EISSN: None Source Type: Journal
DOI: 10.1021/cs501585k Document Type: Article

Times cited : (26)

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