Energetics and electronic structure of acetylene molecules encapsulated inside a carbon nanotube: A density functional theory study

Optical Materials

Volumn 29, Issue 1, 2006, Pages 150-152

  Martinez Guerra E ^a   Canto, G ^b   Takeuchi, Noboru ^b  

^a CENTRO DE INVESTIGACIÓN CIENTÍFICA Y DE EDUCACIÓN SUPERIOR DE ENSENADA   (Mexico)

^b CENTRO DE CIENCIAS DE LA MATERIA CONDENSADA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CARBON; ELECTRONIC STRUCTURE; ENCAPSULATION; FERMI LEVEL; MOLECULAR DYNAMICS; NANOSTRUCTURED MATERIALS; PROBABILITY DENSITY FUNCTION;

ACETYLENE MOLECULES; ENERGETIC PREFERENCE; SINGLE ACETYLENE MOLECULES; SINGLE-WALLED CARBON NANOTUBES (SWCNT);

HYDROCARBONS;

EID: 33748560514     PISSN: 09253467     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.optmat.2006.03.030     Document Type: Article

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