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Influence of surface and subsurface defects on the behavior of the rutile TiO2(110) surface (Articolo in rivista)

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Influence of surface and subsurface defects on the behavior of the rutile TiO2(110) surface (Articolo in rivista) (literal)

Anno

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Alternative label

Hameeuw, K; Cantele, G; Ninno, D; Trani, F; Iadonisi, G (2006)
Influence of surface and subsurface defects on the behavior of the rutile TiO2(110) surface
in Physica status solidi. A, Applied research; WILEY-V C H VERLAG GMBH, WEINHEIM (Germania)
(literal)

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http://onlinelibrary.wiley.com/doi/10.1002/pssa.200566015/abstract;jsessionid=4FC6E797BA2C4513C0EE65B1CB9440EA.d02t04 (literal)

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Coherentia CNR, INFM, I-80126 Naples, Italy; Univ Naples Federico II, Dipartimento Sci Fisiche, I-80126 Naples, Italy (literal)

Titolo

Influence of surface and subsurface defects on the behavior of the rutile TiO2(110) surface (literal)

Abstract

We carried out a theoretical study of the rutile TiO2(110) surface using ab initio techniques. We investigate the effects of both surface and subsurface defects. These defects consist of a missing oxygen atom in the crystalline structure, the oxygen vacancy. We show that the defect formation energy of oxygen vacancies strongly depends on the position of the defect in the material. Our results imply that subsurface defects could play a role in the reactivity of the surface. (literal)

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