Geometric parameter effects on ensemble contributions to catalysis: H 2O2 formation from H2 and O2 on AuPd alloys. A first principles study

Journal of Physical Chemistry C

Volumn 114, Issue 35, 2010, Pages 14922-14928

  Ham, Hyung Chul ^a   Hwang, Gyeong S ^a   Han, Jonghee ^b   Nam, Suk Woo ^b   Lim, Tae Hoon ^b  

^a The University of Texas at Austin   (United States)

^b Korea Institute of Science and Technology   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

ADLAYERS; ATOM CLUSTERS; AU(1 1 1 ); AUPD ALLOY; BIMETALLIC CATALYSTS; COORDINATION NUMBER; ENSEMBLE EFFECT; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GEOMETRIC CONDITIONS; GEOMETRIC PARAMETER; LOCAL STRAINS; NANOCATALYSTS; SURFACE ELECTRONIC STATE; SURFACE ELECTRONIC STRUCTURES; SURFACE SITES;

ELECTRONIC STRUCTURE; GEOMETRY; MONOMERS; SURFACE STRUCTURE;

PALLADIUM;

EID: 79951614953     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp102851d     Document Type: Article

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