Importance of ligand effect in selective hydrogen formation via formic acid decomposition on the bimetallic Pd/Ag catalyst from first-principles

Journal of Physical Chemistry C

Volumn 118, Issue 39, 2014, Pages 22553-22560

  Cho, Jinwon ^a,c   Lee, Sangheon ^a   Han, Jonghee ^a,c   Yoon, Sung Pil ^a   Nam, Suk Woo ^a,c   Choi, Sun Hee ^a   Lee, Kwan Young ^c   Ham, Hyung Chul ^a,b  

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

^b University of Science and Technology (UST)   (South Korea)

^c Korea University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY ALLOYS; CALCULATIONS; CATALYST SELECTIVITY; DENSITY FUNCTIONAL THEORY; FORMIC ACID; HYDROGEN PRODUCTION; LIGANDS; SILVER; SUBSTRATES;

CHARGE DONATION; CORE SHELL CATALYSTS; DENSITY OF STATE; FIRST PRINCIPLES; FORMIC ACID DECOMPOSITIONS; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY; SURFACE ACTIVITIES; SURFACE BINDING;

PALLADIUM;

EID: 84907766294     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5050817     Document Type: Article

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