Catalytic activity of Pd ensembles over Au(111) surface for CO oxidation: A first-principles study

Journal of Chemical Physics

Volumn 134, Issue 5, 2011, Pages

  Yuan, D W ^a   Liu, Z R ^a   Chen, J H ^a  

^a HUNAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; AU(111) SURFACES; BAND SIMULATION; CATALYTIC ACTIVITY; CO OXIDATION; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; HIGHER-ENERGY BARRIERS; LANGMUIR HINSHELWOOD MECHANISM; META-STABLE STATE; PSEUDOPOTENTIAL PLANE-WAVE METHOD; TWO-STEP REACTIONS;

CATALYST ACTIVITY; CATALYTIC OXIDATION; DIMERS; ENERGY BARRIERS;

PALLADIUM;

EID: 79951532783     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3551617     Document Type: Article

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