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Atomic geometry and STM simulations of a TiO.sub.2./sub.(110) surface upon formation of an oxygen vacancy and hydroxyl group
- 1.0306474 - FZÚ 2008 RIV GB eng J - Journal Article
Mutombo, Pingo - Kiss, A.M. - Berkó, A. - Cháb, Vladimír
Atomic geometry and STM simulations of a TiO2(110) surface upon formation of an oxygen vacancy and hydroxyl group.
[Atomární geometrie a STM simulace TiO2(110) povrchu po vytvoření kyslíkové vakance a OH skupiny.]
Modelling and Simulation in Materials Science and Engineering. Roč. 16, - (2008), 025007/1-025007/9. ISSN 0965-0393. E-ISSN 1361-651X
R&D Projects: GA AV ČR IAA1010413
Grant - others:MŠMT(CZ) 9/2004 KONTAKT
Institutional research plan: CEZ:AV0Z10100521
Source of funding: V - Other public resources
Keywords : vacance * Oxygen * OH group * STM
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 1.388, year: 2008
It was found that both the removal of a bridging O atom and the formation of an OH group lead to distortion in the atomic positions of the neighboring atoms depending on the choice of the unit cell used in the calculations.
Z výsledku vyplývá, že odstranění atomu O a vytvoření OH skupiny vede k distorzi v atomární pozici sousedních atomů podle velikosti vybrané buňky.
Permanent Link: http://hdl.handle.net/11104/0159491
Number of the records: 1