First principles study on the boron-nitrogen domains segregated within (5,5) and (8,0) single-wall carbon nanotubes: Formation energy, electronic structure and reactivity

Computational and Theoretical Chemistry

Volumn 996, Issue , 2012, Pages 11-20

  Saikia, Nabanita ^a   Deka, Ramesh C ^a  

^a TEZPUR UNIVERSITY   (India)

Author keywords

BN co doping; Electronic structure; Formation and cohesive energies; SWNTS

Indexed keywords

EID: 84865440375     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2012.07.004     Document Type: Article

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