A DFT study of adsorption hydrogen on the Li-FAU zeolite

International Journal of Hydrogen Energy

Volumn 33, Issue 1, 2008, Pages 105-110

  Kang, Lihua ^a   Deng, Weiqiao ^b   Han, Keli ^a   Zhang, Tao ^a   Liu, Zhongmin ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

DFT; FAU; Hydrogen adsorption; Zeolite

Indexed keywords

ADSORPTION; APPROXIMATION THEORY; COMPUTATIONAL GEOMETRY; DENSITY FUNCTIONAL THEORY; GRADIENT METHODS; HYDROGEN;

COORDINATION GEOMETRY; GENERALIZED-GRADIENT APPROXIMATION (GGA); HYDROGEN ADSORPTION;

ZEOLITES;

EID: 38349156495     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2007.08.027     Document Type: Article

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