Nanostructured TiO2 thin films co-doped with transition metals for enhanced visible light absorption: Experiments and first-principles calculations

Elijah Thimsen, Cynthia S. Lo, Pratim Biswas

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Nanostructured TiO2 thin films can be used for many photo-activated processes, such as photovoltaics, photocatalytic water-splitting and waste remediation. However, the performance of TiO2 in solar applications is limited by its wide band gap (∼3 eV), which only allows light absorption in the uv region on the spectrum. Transition metal doping can be used to engineer the band gap of TiO2 to enhance the visible light response. Nanostructured anatase TiO2 thin films co-doped with iron and chromium were synthesized in a single-step gas phase flame aerosol reactor (FLAR). These films are found to absorb visible light. The band gaps of these doped thin films were measured using uv-vis absorption spectroscopy, and compared to those of substitutionally-doped bulk anatase as calculated using self-interaction-corrected density functional theory. The use of a self-interaction corrected exchange-correlation potential significantly alleviated the well-known underestimation of TiO2 band gaps using conventional DFT exchange-correlation functionals.

Original languageEnglish (US)
Title of host publicationAmerican Chemical Society - 235th National Meeting, Abstracts of Scientific Papers
StatePublished - 2008
Externally publishedYes
Event235th National Meeting of the American Chemical Society, ACS 2008 - New Orleans, LA, United States
Duration: Apr 6 2008Apr 10 2008

Publication series

NameACS National Meeting Book of Abstracts
ISSN (Print)0065-7727

Other

Other235th National Meeting of the American Chemical Society, ACS 2008
Country/TerritoryUnited States
CityNew Orleans, LA
Period4/6/084/10/08

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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