Ti-decorated doped silicon fullerene: A possible hydrogen-storage material

Journal of Physical Chemistry C

Volumn 112, Issue 50, 2008, Pages 19963-19968

  Barman, Sonali ^a   Sen, Prasenjit ^b   Das, G P ^a  

^a DEPARTMENT OF MATERIALS SCIENCE   (India)

^b HARISH CHANDRA RESEARCH INSTITUTE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BINDING ENERGY; CHEMISORPTION; DANGLING BONDS; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; FULLERENES; HYDROGEN; HYDROGEN STORAGE; PHYSISORPTION; SILICON; SOLID STATE PHYSICS;

CATIONIC FORMS; DENSITY FUNCTIONAL; DOPED SILICONS; ELECTRONIC STRUCTURE CALCULATIONS; FIRST-PRINCIPLES; FULLERENE STRUCTURES; FULLERENE SURFACES; HYDROGEN-STORAGE MATERIALS; MOLECULAR STATE; SI DANGLING BONDS; STORAGE CAPACITIES; TI ATOMS;

CRYSTAL ATOMIC STRUCTURE;

EID: 61349167791     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp804637x     Document Type: Article

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