Non-localized charge compensation in zeolites: A periodic DFT study of cationic gallium-oxide clusters in mordenite

Journal of Catalysis

Volumn 255, Issue 2, 2008, Pages 139-143

  Pidko, Evgeny A ^a   Hensen, Emiel J M ^a   Zhidomirov, Georgy M ^b   van Santen, Rutger A ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

Author keywords

Alkane dehydrogenation; Charge compensation; Extraframework cations; Gallium; Mordenite; Oxide clusters; Periodic DFT calculations; Zeolite

Indexed keywords

DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; GALLIUM COMPOUNDS; OXIDES;

CHARGE COMPENSATION; EXTRAFRAMEWORK CATIONS; PERIODIC DFT CALCULATIONS;

ZEOLITES;

EID: 41449096761     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2008.02.027     Document Type: Article

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