The structural and electronic properties of Li-doped fluorinated graphene and its application to hydrogen storage

International Journal of Hydrogen Energy

Volumn 37, Issue 7, 2012, Pages 5754-5761

  Li, Yue ^a   Zhao, Gaofeng ^a   Liu, Chunsheng ^b,c   Wang, Yinliang ^a   Sun, Jianmin ^a   Gu, Yuzong ^a   Wang, Yuanxu ^a   Zeng, Zhi ^b,c  

^a HENAN UNIVERSITY   (China)

^b INSTITUTE OF SOLID STATE PHYSICS   (China)

^c UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

Density functional theory; Formation energy; Hydrogen storage; Li doped fluorinated graphene

Indexed keywords

ADSORPTION MECHANISM; CARBON ORBITALS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FLUORINATED GRAPHENE LAYERS; FORMATION ENERGIES; HIGHER-DEGREE; HYDROGEN STORAGE MEDIA; LI ATOMS; THEORETICAL INVESTIGATIONS;

ADSORPTION; CHARGE TRANSFER; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONEGATIVITY; ELECTRONIC PROPERTIES; HYDROGEN; HYDROGEN STORAGE;

GRAPHENE;

EID: 84858290923     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2011.12.146     Document Type: Article

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