Density functional study of graphite bulk and surface properties

Carbon

Volumn 44, Issue 2, 2006, Pages 231-242

  Ooi, Newton ^a   Rairkar, Asit ^a   Adams, James B ^a  

^a Arizona State University ^*  (United States)

Author keywords

Computational chemistry; Electrical (electronic) properties; Electronic structure; Graphite; Surface properties

Indexed keywords

APPROXIMATION THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENTHALPY; INTERFACIAL ENERGY; PROBABILITY DENSITY FUNCTION;

COMPUTATIONAL CHEMISTRY; ELECTRICAL (ELECTRONIC) PROPERTIES; GENERALIZED GRADIENT (GGA) APPROXIMATIONS; SURFACE PROPERTIES;

GRAPHITE;

EID: 27344453539     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2005.07.036     Document Type: Article

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