A density-functional theory investigation of the electronic structure of the active carbon graphite-like and amorphous domains

Chemical Physics Letters

Volumn 513, Issue 4-6, 2011, Pages 261-266

  Khavryuchenko, Oleksiy V ^a,c   Khavryuchenko, Volodymyr D ^b   Lisnyak, Vladyslav V ^a   Peslherbe, Gilles H ^c  

^a TARAS SHEVCHENKO NATIONAL UNIVERSITY OF KYIV   (Ukraine)

^b the National Academy of Sciences of Ukraine   (Ukraine)

^c Civil and Environmental Engineering   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE CARBON; AMORPHOUS CLUSTERS; CONJUGATED CHAIN; HIGH MULTIPLICITY; ORBITALS; STRUCTURAL TRANSFORMATION;

AMORPHOUS CARBON; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GRAPHITE; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 80052454763     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.08.009     Document Type: Article

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