Density functional study of the metallization of a linear carbon chain inside single wall carbon nanotubes

Carbon

Volumn 48, Issue 14, 2010, Pages 4057-4062

  Tapia, A ^a   Aguilera, L ^a   Cab, C ^a   Medina Esquivel, R A ^a   De Coss, R ^b   Canto, G ^c  

^a UNIVERSIDAD AUTÓNOMA DE YUCATÁN   (Mexico)

^b DEPARTAMENTO DE FÍSICA APLICADA   (Mexico)

^c UNIVERSIDAD AUTÓNOMA DE CAMPECHE   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC STRUCTURE; BAND GAPS; CARBON NANOSTRUCTURES; DENSITY-FUNCTIONAL STUDY; EXCHANGE-CORRELATION POTENTIAL; GENERALIZED GRADIENT APPROXIMATIONS; LINEAR CARBON; LINEAR COMBINATION OF ATOMIC ORBITALS; LOCAL DENSITY OF STATE; METALLIC BEHAVIORS; METALLIZATIONS; PSEUDOPOTENTIALS; SINGLE WALL CARBON NANOTUBES;

CARBON NANOTUBES; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ION EXCHANGE; QUANTUM CHEMISTRY;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 77956265020     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2010.07.011     Document Type: Article

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