A comparative theoretical study for the methanol dehydrogenation to CO over Pt 3 and PtAu 2 clusters

Journal of Molecular Modeling

Volumn 18, Issue 7, 2012, Pages 3051-3060

  Zhong, Wenhui ^a   Liu, Yuxia ^a   Zhang, Dongju ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

DFT; Methanol oxidation; Pt based catalysts; PtAu bimetallic nanoparticles

Indexed keywords

CARBON MONOXIDE; GOLD; METHANOL; NANOPARTICLE; PLATINUM;

ARTICLE; CATALYSIS; CATALYST; CHEMICAL BOND; CHEMICAL REACTION KINETICS; COMPARATIVE STUDY; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; OXIDATION; PRIORITY JOURNAL; THEORETICAL STUDY;

CARBON MONOXIDE; CATALYSIS; COMPUTER SIMULATION; METHANOL; MODELS, CHEMICAL; MODELS, MOLECULAR; OXIDATION-REDUCTION; PLATINUM;

EID: 84864696172     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1318-7     Document Type: Article

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