First-principles simulations of endohedral bromine in BC3 nanotubes

Journal of Physical Chemistry B

Volumn 102, Issue 9, 1998, Pages 1568-1570

  Jishi, R A ^a   White, C T ^b   Mintmire, J W ^b  

^a CALIFORNIA STATE UNIVERSITY   (United States)

^b NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; BINDING ENERGY; BROMINE; CHARGE TRANSFER; COMPUTATIONAL METHODS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE;

CARBON NANOTUBES; FIRST PRINCIPLE SIMULATION;

NANOSTRUCTURED MATERIALS;

EID: 0032003444     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9730407     Document Type: Article

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