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Cuihua Xuebao/Chinese Journal of Catalysis

Volumn 34, Issue 9, 2013, Pages 1705-1711

First-principles study of water activation on Cu-ZnO catalysts

(5) Yao, Kun a Wang, Sha Sha a Gu, Xiang Kui a Su, Hai Yan a Li, Wei Xue a

a DALIAN INSTITUTE OF CHEMICAL PHYSICS (China)

Author keywords

Copper zinc oxide catalyst; Density functional theory; Diffusion; Interface; Water dissociation

Indexed keywords

CATALYTIC REACTIONS; DISSOCIATION REACTIONS; DYNAMIC EQUILIBRIA; FIRST-PRINCIPLES STUDY; HYDROGEN DIFFUSION; METHANOL STEAM REFORMING; OXIDE CATALYSTS; WATER DISSOCIATION;

CALCULATIONS; CATALYSIS; CATALYSTS; DENSITY FUNCTIONAL THEORY; DIFFUSION; DISSOCIATION; ENERGY BARRIERS; INTERFACES (MATERIALS); METALLIC FILMS; STEAM REFORMING; SURFACE REACTIONS; WATER GAS SHIFT; ZINC OXIDE;

COPPER;

EID: 84884997727 PISSN: 02539837 EISSN: None Source Type: Journal
DOI: 10.1016/s1872-2067(12)60642-1 Document Type: Article

Times cited : (11)

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