DFT studies of methanol decomposition on Ni(1 0 0) surface: Compared with Ni(1 1 1) surface

Journal of Molecular Catalysis A: Chemical

Volumn 258, Issue 1-2, 2006, Pages 203-215

  Zhou, Yu Hua ^a   Lv, Pei Hong ^b   Wang, Gui Chang ^a  

^a NANKAI UNIVERSITY   (China)

^b ANYANG NORMAL UNIVERSITY   (China)

Author keywords

DFT calculation; Kinetics mechanism; Methanol decomposition; Ni(1 0 0); Slab model; Structure sensitive

Indexed keywords

ADSORPTION; APPROXIMATION THEORY; DECOMPOSITION; METHANOL; PROBABILITY DENSITY FUNCTION;

DFT CALCULATION; KINETICS MECHANISM; METHANOL DECOMPOSITION; SLAB MODEL; STRUCTURE-SENSITIVE;

NICKEL ALLOYS;

EID: 33748510546     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2006.04.013     Document Type: Article

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