First-principles investigation on the formation of endohedral complexes between ch4 molecules and Si60 fullerene nanocage

Fullerenes Nanotubes and Carbon Nanostructures

Volumn 19, Issue 5, 2011, Pages 421-428

  Ganji, M D ^a   Rezvani, M ^b   Shokry, M ^a   Mirnejad, A ^a  

^a Islamic Azad University   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

ab initio calculations; endohedral complexes; energy storage; Si60 fullerenes

Indexed keywords

AB INITIO CALCULATIONS; BARRIER ENERGY; DENSITY-FUNCTIONAL LEVEL; ENDOHEDRAL COMPLEXES; ENDOHEDRAL FULLERENE; FIRST-PRINCIPLES INVESTIGATIONS; METHANE MOLECULES; NANOCAGES; SI60 FULLERENES; STABLE COMPLEXES; STORAGE CAPACITY;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ENERGY STORAGE; FLYWHEELS; FULLERENES; METHANE; MOLECULES; STORAGE (MATERIALS);

SILICON;

EID: 79957505179     PISSN: 1536383X     EISSN: 15364046     Source Type: Journal    
DOI: 10.1080/1536383X.2010.481059     Document Type: Article

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