A density functional theory study of C-H bond activation of methane on a bridge site of M-O-M-ZSM-5 Clusters (M = Au, Ag, Fe and Cu)

Microporous and Mesoporous Materials

Volumn 138, Issue 1-3, 2011, Pages 68-74

  Kurnaz, Emine ^a   Fellah, Mehmet Ferdi ^a,b   Onal, Isik ^a  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

^b YUZUNCU YIL UNIVERSITY   (Turkey)

Author keywords

C H bond activation; DFT; Metal dimer; Methane; ZSM 5

Indexed keywords

A-DENSITY; ACTIVATION BARRIERS; ACTIVATION PROCESS; BRIDGE SITES; CH-BOND ACTIVATION; CLUSTER MODELS; CUZSM-5; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT; FE-ZSM5; ZSM-5;

CHEMICAL BONDS; METALS; METHANE;

DENSITY FUNCTIONAL THEORY;

EID: 78149407582     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2010.09.028     Document Type: Article

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