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Journal of Materials Chemistry

Volumn 20, Issue 46, 2010, Pages 10521-10527

First-principles study of the mechanism of ethylene epoxidation over Ag-Cu particles

(4) Piccinin, Simone a,b Nguyen, Ngoc Linh c Stampfl, Catherine b Scheffler, Matthias d

a DEMOCRITOS NATIONAL SIMULATION CENTER (Italy)

b UNIVERSITY OF SYDNEY (Australia)

c SISSA (Italy)

d FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

2D ALLOYS; AG-CU ALLOYS; AMBIENT CONDITIONS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; ETHYLENE EPOXIDATION; FIRST-PRINCIPLES STUDY; REACTION CONDITIONS; REACTION MECHANISM; REACTION PATHWAYS; SILVER-COPPER ALLOYS; THIN OXIDES;

ALLOYS; CATALYSIS; CATALYST SELECTIVITY; COPPER ALLOYS; DENSITY FUNCTIONAL THEORY; ETHYLENE; REACTION INTERMEDIATES; SILVER ALLOYS; SURFACE STRUCTURE; TWO DIMENSIONAL;

SILVER;

EID: 78649312299 PISSN: 09599428 EISSN: 13645501 Source Type: Journal
DOI: 10.1039/c0jm01916j Document Type: Article

Times cited : (21)

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