FS+ and FS+(OH-) defect centers at the MgO(1 0 0) surface: Cluster and periodic calculations

Surface Science

Volumn 549, Issue 3, 2004, Pages 294-304

  Ménétrey, Marion ^a   Markovits, Alexis ^a   Minot, Christian ^a   Del Vitto, Annalisa ^b   Pacchioni, Gianfranco ^b  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^b UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

Clusters; Hydrogen atom; Magnesium oxides; Surface defects; Surface electronic phenomena (work function, surface potential, surface states, etc.)

Indexed keywords

ADSORPTION; COLOR CENTERS; COMPUTATIONAL METHODS; CRYSTAL DEFECTS; ELECTRON TRAPS; HYDROGEN; MORPHOLOGY; PARAMAGNETISM; POLARIZATION; SURFACE CHEMISTRY; THERMODYNAMICS;

DENSITY FUNCTIONAL THEORY (DFT); SURFACE POTENTIALS;

MAGNESIA;

EID: 0347599247     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2003.12.008     Document Type: Article

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