Ab initio investigation of the possibility of formation of endohedral complexes between H2 molecules and B-, N- and Si-doped C60 fullerenes

Physica E: Low-Dimensional Systems and Nanostructures

Volumn 41, Issue 8, 2009, Pages 1406-1409

  Ganji, M D ^a  

^a Azad University of Ghaemshahr   (Iran)

Author keywords

Ab initio calculations; Endohedral complexes; Hydrogen storage; Si doped fullerenes

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; AB INITIO INVESTIGATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DOPED FULLERENE; ENDOHEDRAL COMPLEXES; FORMATION ENERGIES; HYDROGEN MOLECULE; POTENTIAL CAPACITY; PROMISING MATERIALS; SI-DOPED FULLERENES; STABLE COMPLEXES;

DENSITY FUNCTIONAL THEORY; FULLERENES; HYDROGEN; MOLECULES; SILICON;

HYDROGEN STORAGE;

EID: 67649236176     PISSN: 13869477     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physe.2009.04.006     Document Type: Article

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