First principles calculations of oxygen adsorption on the UN(0 0 1) surface

Surface Science

Volumn 603, Issue 1, 2009, Pages 50-53

  Zhukovskii, Yu F ^a   Bocharov, D ^a   Kotomin, E A ^b   Evarestov, R A ^c   Bandura, A V ^c  

^a UNIVERSITY OF LATVIA   (Latvia)

^b JOINT RESEARCH CENTRE   (Italy)

^c ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

Chemisorption; Density functional calculations; Oxygen; Uranium nitride

Indexed keywords

ACTINIDES; ADSORPTION; ATOMIC PHYSICS; CHEMISORPTION; GAS ADSORPTION; MATERIALS HANDLING; NITRIDES; NONMETALS; NUCLEAR FUELS; OXYGEN; REACTIVITY (NUCLEAR); SURFACES; TRANSURANIUM ELEMENTS; URANIUM; URANIUM COMPOUNDS;

AIR COMPONENTS; ATOMIC OXYGENS; BASIC PROPERTIES; BASIS SETS; DENSITY FUNCTIONAL CALCULATIONS; FIRST-PRINCIPLES CALCULATIONS; FUEL PROPERTIES; INITIAL STAGES; LOCALIZED ORBITALS; OXYGEN ADSORPTIONS; OXYGEN IMPURITIES; PLANE WAVES; URANIUM NITRIDE;

SURFACE MORPHOLOGY;

EID: 58049158280     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2008.10.019     Document Type: Article

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