DFT studies of the pH dependence of the reactivity of methanol on a Pd(1 1 1) surface

Journal of Molecular Structure

Volumn 980, Issue 1-3, 2010, Pages 208-213

  Qi, X Q ^a   Wei, Z D ^a   Li, L L ^a   Li, L ^a   Ji, M B ^a   Zhang, Y ^a   Xia, M R ^a   Ma, X L ^a  

^a CHONGQING UNIVERSITY   (China)

Author keywords

DFT; Methanol; Reactivity; Solution Pd(1 1 1)

Indexed keywords

ALKALINE SOLUTIONS; AQUEOUS SOLUTIONS; BI-LAYER; DFT; DFT METHOD; DFT STUDY; METHANOL MOLECULES; PD(1 1 1); PH DEPENDENCE; REACTIVITY; SOLUTION/PD(1 1 1); WATER MOLECULE;

ACIDS; HYDROCHLORIC ACID; MOLECULES; PALLADIUM; SOLUTIONS;

METHANOL;

EID: 77956055866     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2010.07.015     Document Type: Article

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