A first-principles study of lithium absorption in boron-or nitrogen-doped single-walled carbon nanotubes

Carbon

Volumn 42, Issue 12-13, 2004, Pages 2677-2682

  Zhou, Zhen ^a,b   Gao, Xueping ^b   Yan, Jie ^b   Song, Deying ^b   Morinaga, Masahiko ^a  

^a NAGOYA UNIVERSITY   (Japan)

^b NANKAI UNIVERSITY   (China)

Author keywords

A. Carbon nanotubes, Intercalation compounds; C. Molecular simulation; D. Electronic structure, Intercalation reactions

Indexed keywords

ABSORPTION; BORON; DOPING (ADDITIVES); ELECTRODES; ELECTRONIC STRUCTURE; GRAPHITE; LATTICE CONSTANTS; LITHIUM; NITRATES; PROBABILITY DENSITY FUNCTION; PROBLEM SOLVING; REACTION KINETICS; TOPOLOGY;

ABSORPTION ENERGIES; CHEMICAL POTENTIAL; NANOTUBE SYSTEMS; SINGLE WALLED CARBON NANOTUBES;

CARBON NANOTUBES;

EID: 4043163387     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2004.06.019     Document Type: Article

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