DFT study of reconstructed Cu(1 0 0) surface with high oxygen coverages

Surface Science

Volumn 602, Issue 21, 2008, Pages 3239-3245

  Kangas, Teija ^a   Laasonen, Kari ^a  

^a UNIVERSITY OF OULU   (Finland)

Author keywords

Adsorption; Copper; Density functional calculations; Oxidation; Oxygen; Single crystal surfaces; Surface relaxation and reconstruction

Indexed keywords

ADSORPTION; ATOMIC PHYSICS; ATOMS; CHEMICAL OXYGEN DEMAND; COPPER; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; DISSOCIATION; GAS ADSORPTION; NONMETALS; OXIDATION; OXYGEN; PROBABILITY DENSITY FUNCTION; SINGLE CRYSTALS; SURFACE RELAXATION;

ADSORPTION ENERGIES; DENSITY FUNCTIONAL CALCULATIONS; DFT METHODS; DFT STUDIES; DISORDERED METALS; HIGH OXYGEN COVERAGES; MIXED STRUCTURES; OPPOSITE TRENDS; OXIDATION PROCESSES; OXYGEN ATOMS; OXYGEN MOLECULES; OXYGEN TRANSFERS; RECONSTRUCTED SURFACES; STRUCTURAL CHANGES; SURFACE ADSORPTIONS; SURFACE RELAXATION AND RECONSTRUCTION; SURFACE SITES;

SINGLE CRYSTAL SURFACES;

EID: 54249135290     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2008.08.014     Document Type: Article

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