Oxygen adsorption on the (1 × 1) and (2 × 1) reconstructed C(111) surfaces: A density functional theory study

Journal of Physics Condensed Matter

Volumn 22, Issue 26, 2010, Pages

  Derry, T E ^a   Makau, N W ^a,c   Stampfl, C ^b  

^a UNIVERSITY OF THE WITWATERSRAND   (South Africa)

^b UNIVERSITY OF SYDNEY   (Australia)

^c MOI UNIVERSITY   (Kenya)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; BRIDGE SITES; CLEAN SURFACES; MONOLAYER COVERAGE; OPTIMUM COVERAGE; OXYGEN ADSORPTION; OXYGEN ATOM; RECONSTRUCTED SURFACES; REPULSIVE INTERACTIONS; S STATE; SURFACE STATE;

ATOMS; ELECTRON ENERGY LEVELS; ELECTRONIC PROPERTIES; GAS ADSORPTION; MONOLAYERS; OXYGEN;

DENSITY FUNCTIONAL THEORY;

CARBON; DIAMOND; OXYGEN;

ADSORPTION; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; SURFACE PROPERTY;

ADSORPTION; CARBON; COMPUTER SIMULATION; DIAMOND; MODELS, CHEMICAL; OXYGEN; QUANTUM THEORY; SURFACE PROPERTIES;

EID: 77955966152     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/26/265007     Document Type: Article

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