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Ab initio study of electronic and optical properties of Fe doped anatase TiO2 (1 0 1) surface

  • Published:2017-11 Issue: Volume:1120 Page:17-23
  • ISSN:2210-271X
  • Container-title:Computational and Theoretical Chemistry
  • language:en
  • Short-container-title:Computational and Theoretical Chemistry

Author:

Toprek Dragan,Koteski Vasil,Belošević-Čavor Jelena,Ivanovski Valentin,Umićević Ana

Funder

Serbian Ministry of Education, Science and Technological Development

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference103 articles.

1. Tailored preparation methods of TiO2 Anatase, Rutile, Brookite: mechanism of formation and electrochemical properties;Dambournet;Chem. Mater.,2010

2. The electronic structure and optical response of rutile, anatase and brookite TiO2;Landmann;J. Phys: Condens. Matter,2012

3. First-principles study of native defects in anatase TiO2;Na-Phattalung;Phys. Rev. B,2006

4. Ab initio calculations of electronic properties of pure and Ge doped anatase TiO2;Chen;J. Mol. Struct: Theochem,2005

5. Band alignment of rutile and anatase TiO2;Scanlon;Nat. Mater.,2013
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