Calcium-decorated graphyne nanotubes as promising hydrogen storage media: A first-principles study

Journal of Solid State Chemistry

Volumn 197, Issue , 2013, Pages 323-328

  Wang, Yu Sheng ^a,b   Fei Yuan, Peng ^a   Li, Meng ^a   Fen Jiang, Wei ^b   Sun, Qiang ^a   Jia, Yu ^a  

^a ZHENGZHOU UNIVERSITY   (China)

^b NORTH CHINA UNIVERSITY OF WATER RESOURCES AND ELECTRIC POWER   (China)

Author keywords

Graphyne nanotube; Hydrogen storage; Nanostructure

Indexed keywords

ADSORPTION ENERGIES; AMBIENT CONDITIONS; ATOM CLUSTERING; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; HYDROGEN RECYCLING; HYDROGEN STORAGE MEDIA; HYDROGEN STORAGE PROPERTIES; HYDROGEN UPTAKE; OPTIMAL CHOICE; ORBITAL HYBRIDIZATION; POLAR INTERACTIONS; STERIC HINDRANCES; TUBE DIAMETERS;

ADSORPTION; ATOMS; CALCIUM; CALCULATIONS; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN STORAGE; MOLECULES; NANOSTRUCTURES;

NANOTUBES;

EID: 84866911010     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2012.09.004     Document Type: Article

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