The use of the "+U" correction in describing defect states at metal oxide surfaces: oxygen vacancies on CeO2 and TiO2, and Li-doping of MgO?

e-Journal of Surface Science and Nanotechnology

Volumn 7, Issue , 2009, Pages 389-394

  Morgan, Benjamin J ^a   Scanlon, David O ^a   Watson, Graeme W ^a  

^a TRINITY COLLEGE DUBLIN   (Ireland)

Author keywords

Cerium oxide; Density functional calculations; Magnesium oxides; Surface electronic phenomena; Titanium oxide

Indexed keywords

DEFECT DENSITY; DENSITY FUNCTIONAL THEORY; ELECTRON-ELECTRON INTERACTIONS; ELECTRONIC STRUCTURE; LITHIUM COMPOUNDS; MAGNESIA; METALS; OXYGEN VACANCIES; TITANIUM DIOXIDE; TITANIUM OXIDES;

DENSITY FUNCTIONALS; HOST LATTICE; METAL OXIDE SURFACES; METAL OXIDES; P AND N TYPES; SELF-INTERACTION ERROR; SMALL POLARONS; SURFACE ELECTRONIC PHENOMENA;

CERIUM OXIDE;

EID: 68849083267     PISSN: None     EISSN: 13480391     Source Type: Journal    
DOI: 10.1380/ejssnt.2009.389     Document Type: Conference Paper

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