First-principles study of the B- or N-doping effects on chemical bonding characteristics between magnesium and single-walled carbon nanotubes

Chemical Physics Letters

Volumn 469, Issue 1-3, 2009, Pages 145-148

  Wang, Kunpeng ^a   Shi, Chunsheng ^a   Zhao, Naiqin ^a   Du, Xiwen ^a   Li, Jiajun ^a  

^a TIANJIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ATOMIC PHYSICS; ATOMS; BINDING ENERGY; BINDING SITES; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MAGNESIUM; NANOCOMPOSITES; NANOTUBES; NUCLEAR ENERGY; POTENTIAL ENERGY; PROGRAMMING THEORY; SINGLE-WALLED CARBON NANOTUBES (SWCN); SOLID STATE PHYSICS;

B-DOPING; CHEMICAL BONDINGS; DENSITY-FUNCTIONAL (DF); FIRST PRINCIPLES STUDIES; FUNCTIONALIZATION; N-DOPING;

CARBON NANOTUBES;

EID: 58549107556     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.12.059     Document Type: Article

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