Static simulation of bulk and selected surfaces of anatase TiO2

Surface Science

Volumn 490, Issue 1-2, 2001, Pages 116-124

  Beltran A ^a   Sambrano, J R ^b   Calatayud, M ^a   Sensato, F R ^c   Andres J ^a  

^a UNIVERSITAT JAUME I   (Spain)

^b SÃO PAULO STATE UNIVERSITY UNESP   (Brazil)

^c FEDERAL UNIVERSITY OF SÃO CARLOS   (Brazil)

Author keywords

Catalysis; Density functional calculations; Single crystal surfaces; Titanium oxide

Indexed keywords

BAND STRUCTURE; COMPRESSIBILITY OF SOLIDS; COMPUTER SIMULATION; CRYSTAL STRUCTURE; ELECTRIC CHARGE; LOW ENERGY ELECTRON DIFFRACTION; PROBABILITY DENSITY FUNCTION; SINGLE CRYSTALS; SURFACE STRUCTURE;

SLAB SURFACE MODELS;

TITANIUM OXIDES;

EID: 0035451489     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(01)01230-4     Document Type: Article

References (34)