Semi-empirical studies on electronic structures of a boron-doped graphene layer - Implications on the oxidation mechanism

Carbon

Volumn 35, Issue 10-11, 1997, Pages 1517-1525

  Ma, X ^a   Wang, Q ^a   Chen, L Q ^a   Cermignani, W ^a   Schobert, H H ^a   Pantano, C G ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

A. Natural graphite; B. Oxidation; C. Molecular simulation; D. Electronic structure; D. Surface properties

Indexed keywords

BORON; CARRIER CONCENTRATION; COMPUTER SIMULATION; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; GASIFICATION; MATHEMATICAL MODELS; OXIDATION; REACTION KINETICS; SURFACE PROPERTIES;

SEMI EMPIRICAL MOLECULAR ORBITAL PACKAGE (MOPAC);

GRAPHITE;

EID: 0031381401     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0008-6223(97)00102-4     Document Type: Article

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