A systematic theoretical study of water dissociation on clean and oxygen-preadsorbed transition metals

Journal of Catalysis

Volumn 244, Issue 1, 2006, Pages 10-16

  Wang, Gui Chang ^a   Tao, Shu Xia ^a   Bu, Xian He ^a  

^a NANKAI UNIVERSITY   (China)

Author keywords

Activation barrier; DFT GGA; Oxygen preadsorbed; Slab model; Transition metal surfaces; Water dissociation

Indexed keywords

ACTIVATION BARRIERS; DFT-GGA METHOD; SLAB MODEL; TRANSITION METAL SURFACES; WATER DISSOCIATION;

ACTIVATION ENERGY; HYDROGEN BONDS; SURFACE TREATMENT; TRANSITION METALS; WATER;

DISSOCIATION;

EID: 33749590292     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2006.07.034     Document Type: Article

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