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
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.
American Chemical Society - 235th National Meeting, Abstracts of Scientific Papers
235th National Meeting of the American Chemical Society, ACS 2008 - New Orleans, LA, United States
Duration: Apr 6 2008 → Apr 10 2008
ACS National Meeting Book of Abstracts
235th National Meeting of the American Chemical Society, ACS 2008
Dive into the research topics of 'Nanostructured TiO<sub>2</sub> thin films co-doped with transition metals for enhanced visible light absorption: Experiments and first-principles calculations'. Together they form a unique fingerprint.
Light absorption Engineering & Materials Science 100%
Transition metals Engineering & Materials Science 97%
Energy gap Engineering & Materials Science 75%
Thin films Engineering & Materials Science 62%
Transition Element Chemical Compounds 47%
Titanium dioxide Engineering & Materials Science 43%
Band Gap Chemical Compounds 39%
Ultraviolet visible spectroscopy Engineering & Materials Science 31%
Thimsen, E., Lo, C. S., & Biswas, P. (2008). Nanostructured TiO2 thin films co-doped with transition metals for enhanced visible light absorption: Experiments and first-principles calculations. In American Chemical Society - 235th National Meeting, Abstracts of Scientific Papers (ACS National Meeting Book of Abstracts).
Nanostructured TiO2 thin films co-doped with transition metals for enhanced visible light absorption : Experiments and first-principles calculations. / Thimsen, Elijah; Lo, Cynthia S.; Biswas, Pratim.
American Chemical Society - 235th National Meeting, Abstracts of Scientific Papers. 2008. (ACS National Meeting Book of Abstracts).
Thimsen, E, Lo, CS & Biswas, P 2008, Nanostructured TiO2 thin films co-doped with transition metals for enhanced visible light absorption: Experiments and first-principles calculations. in American Chemical Society - 235th National Meeting, Abstracts of Scientific Papers. ACS National Meeting Book of Abstracts, 235th National Meeting of the American Chemical Society, ACS 2008, New Orleans, LA, United States, 4/6/08.
Thimsen E, Lo CS, Biswas P. Nanostructured TiO2 thin films co-doped with transition metals for enhanced visible light absorption: Experiments and first-principles calculations. In American Chemical Society - 235th National Meeting, Abstracts of Scientific Papers. 2008. (ACS National Meeting Book of Abstracts).
Thimsen, Elijah ; Lo, Cynthia S. ; Biswas, Pratim. / Nanostructured TiO2 thin films co-doped with transition metals for enhanced visible light absorption : Experiments and first-principles calculations. American Chemical Society - 235th National Meeting, Abstracts of Scientific Papers. 2008. (ACS National Meeting Book of Abstracts).
@inproceedings{648aaf2ab8944dda99d1c60662ffda15,
title = "Nanostructured TiO2 thin films co-doped with transition metals for enhanced visible light absorption: Experiments and first-principles calculations",
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.",
author = "Elijah Thimsen and Lo, {Cynthia S.} and Pratim Biswas",
series = "ACS National Meeting Book of Abstracts",
booktitle = "American Chemical Society - 235th National Meeting, Abstracts of Scientific Papers",
note = "235th National Meeting of the American Chemical Society, ACS 2008 ; Conference date: 06-04-2008 Through 10-04-2008",
T1 - Nanostructured TiO2 thin films co-doped with transition metals for enhanced visible light absorption
T2 - 235th National Meeting of the American Chemical Society, ACS 2008
AU - Thimsen, Elijah
AU - Lo, Cynthia S.
AU - Biswas, Pratim
N2 - 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.
AB - 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.
T3 - ACS National Meeting Book of Abstracts
BT - American Chemical Society - 235th National Meeting, Abstracts of Scientific Papers