A first-principles study of Sc-doped NaAlH4 for reversible hydrogen storage

Journal of Alloys and Compounds

Volumn 446-447, Issue , 2007, Pages 267-270

  Liu, Jianjun ^a   Ge, Qingfeng ^a  

^a SOUTHERN ILLINOIS UNIVERSITY   (United States)

Author keywords

Catalysis; Complex metal hydrides; Density functional theory; Hydrogen storage; NMR shielding; Surfaces

Indexed keywords

CATALYSIS; CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; DESORPTION; DOPING (ADDITIVES); HYDROGEN STORAGE;

CHEMICAL SHIELDING; COMPLEX METAL HYDRIDES; COMPLEX STRUCTURE; ENERGETICS; FIRST-PRINCIPLES STUDY; NMR SHIELDING;

SODIUM COMPOUNDS;

EID: 35148860313     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2007.01.052     Document Type: Article

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