Molecular orbital calculations on electronic and Li-adsorption properties of sulfur-, phosphorus- and silicon-substituted disordered carbons

Carbon

Volumn 40, Issue 3, 2002, Pages 253-260

  Kurita, Noriyuki ^a   Endo, Morinobu ^b  

^a TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

^b SHINSHU UNIVERSITY   (Japan)

Author keywords

A. Doped carbons; C. Molecular simulation; D. Electronic structure; Electrodes; Intercalation reactions

Indexed keywords

ADSORPTION; ANODES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LITHIUM BATTERIES; SUBSTITUTION REACTIONS;

MOLECULAR ORBITALS;

CARBON;

EID: 0036497973     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0008-6223(01)00089-6     Document Type: Article

References (28)