Influence of oxygen/sulfur-termination on electronic structure and surface electrostatic potential of (6,0) carbon nanotube: A DFT study

Structural Chemistry

Volumn 24, Issue 5, 2013, Pages 1571-1578

  Esrafili, Mehdi D ^a  

^a UNIVERSITY OF MARAGHEH   (Iran)

Author keywords

Carbon nanotube; DFT; Electrostatic potentials; Oxygen doping; QTAIM

Indexed keywords

EID: 84885174482     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-012-0191-z     Document Type: Article

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