Ethylene epoxidation on a Au nanoparticle versus a Au(111) surface: A DFT study

Journal of Physical Chemistry Letters

Volumn 1, Issue 4, 2010, Pages 739-742

  Chen, Hsin Tsung ^a   Chang, Jee Gong ^a   Ju, Shin Pon ^b   Chen, Hui Lung ^c  

^a NATIONAL CENTER FOR HIGH PERFORMANCE COMPUTING   (Taiwan)

^b NATIONAL SUN YAT SEN UNIVERSITY   (Taiwan)

^c CHINESE CULTURE UNIVERSITY   (Taiwan)

Author keywords

Catalysis; Interfaces; Surfaces

Indexed keywords

ACTIVATION BARRIERS; AU NANOPARTICLE; AU(111) SURFACES; CATALYZED EPOXIDATION; DFT STUDY; ETHYLENE EPOXIDATION; EXPERIMENTAL STUDIES; GOLD NANOPARTICLES; INERT MATERIALS; INTERFACES; SELECTIVE OXIDATION; TRANSITION STATE;

ALDEHYDES; CATALYSIS; CATALYSTS; DENSITY FUNCTIONAL THEORY; ETHYLENE; HYDROCARBONS; NANOPARTICLES; SURFACES;

GOLD;

EID: 77749264266     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz900469f     Document Type: Article

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