Adsorption of oxygen atom on the pristine and antisite defected SiC nanotubes

Physica B: Condensed Matter

Volumn 405, Issue 12, 2010, Pages 2673-2679

  Liang, Rui Li ^a   Zhang, Yan ^b   Zhang, Jian Min ^a   Ji, Vincent ^b  

^a SHAANXI NORMAL UNIVERSITY   (China)

^b UNIVERSITÉ PARIS SUD   (France)

Author keywords

Adsorption; Density functional theory; Oxygen; SiCNT

Indexed keywords

ADSORPTION DENSITIES; BRIDGE SITES; EXTERIOR SURFACES; FIRST-PRINCIPLES; GENERALIZED GRADIENT APPROXIMATIONS; OXYGEN ADATOMS; OXYGEN ADSORPTION; OXYGEN ATOM; PROJECTOR-AUGMENTED WAVES; SI-C BOND; SI-SI BONDS; SIC NANOTUBES; SINGLE OXYGEN ATOM; STABLE CONFIGURATION;

ATOMS; BINDING ENERGY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; GAS ADSORPTION; OXYGEN; SILICON; SILICON CARBIDE; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

CRYSTAL ATOMIC STRUCTURE;

EID: 77953130149     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.03.053     Document Type: Article

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