Epoxidation of ethylene by silver oxide (Ag2O) cluster: A density functional theory study

Catalysis Letters

Volumn 141, Issue 6, 2011, Pages 762-771

  Fellah, Mehmet Ferdi ^a,b   Van Santen, Rutger A ^c   Onal, Isik ^b  

^a YUZUNCU YIL UNIVERSITY   (Turkey)

^b MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

^c EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Basicity; DFT; Epoxidation; Ethylene; Non activated path; Silver oxide

Indexed keywords

A-DENSITY; ACTIVATION BARRIERS; CLUSTER MODELS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT; ETHYLENE OXIDES; ETHYLENEOXY; LOW PROBABILITY; NON-ACTIVATED PATH; OXIDE SURFACE; RATE-LIMITING STEPS; SILVER CATALYST; SURFACE CLUSTERS; SURFACE OXYGEN; SURFACE VACANCIES; THEORETICAL RESULT; VINYLALCOHOL;

ACTIVATION ENERGY; ALDEHYDES; CATALYSTS; ETHYLENE; OXIDES; SILVER OXIDES;

DENSITY FUNCTIONAL THEORY;

EID: 79958782893     PISSN: 1011372X     EISSN: 1572879X     Source Type: Journal    
DOI: 10.1007/s10562-011-0614-2     Document Type: Article

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