A density functional theory study of CO oxidation on Pd-Ni alloy with sandwich structure

Applied Catalysis A: General

Volumn 451, Issue , 2013, Pages 79-85

  Lim, Freda C H ^a   Zhang, Jia ^a   Jin, Hongmei ^a   Sullivan, Michael B ^a   Wu, Ping ^b  

^a INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^b SINGAPORE UNIVERSITY OF TECHNOLOGY AND DESIGN   (Singapore)

Author keywords

Bimetallic alloy; CO oxidation; Heterogeneous catalysis; Pd alloy; Pd Ni; Sandwich structure

Indexed keywords

ADSORPTION SITE; BIMETALLIC ALLOYS; CATALYTIC PROPERTIES; CO OXIDATION; COMPRESSIVE STRAIN; DENSITY FUNCTIONAL THEORY CALCULATIONS; NI ALLOYS; PARTIAL REPLACEMENT; PD ALLOY; PD CATALYST; PD(1 1 1); PD-NI; REACTING SPECIES; REACTION BARRIERS;

ADSORPTION; CATALYSIS; DENSITY FUNCTIONAL THEORY; OXIDATION; SANDWICH STRUCTURES;

ALLOYS;

EID: 84873316623     PISSN: 0926860X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apcata.2012.11.015     Document Type: Article

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