skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Effective Band Gap Narrowing of Anatase TiO 2 by Strain Along a Soft Crystal Direction

Authors:
; ; ; ; ;
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Solar Energy Technologies Office (EE-4S)
OSTI Identifier:
1054390
Report Number(s):
NREL/JA-520-48819
Journal ID: ISSN 0003-6951
DOE Contract Number:  
AC36-08GO28308
Resource Type:
Journal Article
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 96; Journal Issue: 22; Related Information: Article No. 221901; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
14 SOLAR ENERGY; 36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; TiO2; photocatalytic; chemical stability; solar; photovoltaics

Citation Formats

Yin, Wan-Jian, Chen, Shiyou, Yang, Ji-Hui, Gong, Xin-Gao, Yan, Yanfa, and Wei, Su-Huai. Effective Band Gap Narrowing of Anatase TiO2 by Strain Along a Soft Crystal Direction. United States: N. p., 2010. Web. doi:10.1063/1.3430005.
Yin, Wan-Jian, Chen, Shiyou, Yang, Ji-Hui, Gong, Xin-Gao, Yan, Yanfa, & Wei, Su-Huai. Effective Band Gap Narrowing of Anatase TiO2 by Strain Along a Soft Crystal Direction. United States. doi:10.1063/1.3430005.
Yin, Wan-Jian, Chen, Shiyou, Yang, Ji-Hui, Gong, Xin-Gao, Yan, Yanfa, and Wei, Su-Huai. Mon . "Effective Band Gap Narrowing of Anatase TiO2 by Strain Along a Soft Crystal Direction". United States. doi:10.1063/1.3430005.
@article{osti_1054390,
title = {Effective Band Gap Narrowing of Anatase TiO2 by Strain Along a Soft Crystal Direction},
author = {Yin, Wan-Jian and Chen, Shiyou and Yang, Ji-Hui and Gong, Xin-Gao and Yan, Yanfa and Wei, Su-Huai},
abstractNote = {},
doi = {10.1063/1.3430005},
journal = {Applied Physics Letters},
issn = {0003-6951},
number = 22,
volume = 96,
place = {United States},
year = {2010},
month = {5}
}

Works referenced in this record:

Calculations of strain-modified anatase TiO 2 band structures
journal, May 2008


Electrochemical Photolysis of Water at a Semiconductor Electrode
journal, July 1972

  • Fujishima, Akira; Honda, Kenichi
  • Nature, Vol. 238, Issue 5358, p. 37-38
  • DOI: 10.1038/238037a0

Meeting the Clean Energy Demand:  Nanostructure Architectures for Solar Energy Conversion
journal, January 2007

  • Kamat, Prashant V.
  • The Journal of Physical Chemistry C, Vol. 111, Issue 7
  • DOI: 10.1021/jp066952u

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


High-pressure polymorphs of anatase TiO 2
journal, June 2000


Preparation of strain-included rutile titanium oxide thin films and influence of the strain upon optical properties
journal, January 2007


Solar-hydrogen: Unresolved problems in solid-state science
journal, May 2005


Visible-Light Photocatalysis in Nitrogen-Doped Titanium Oxides
journal, July 2001


Effects of internal stress on photocatalytic properties of TiO2 films
journal, May 2008


Inorganic Materials as Catalysts for Photochemical Splitting of Water
journal, January 2008


Strain-induced charge separation in the photocatalytic single crystalline anatase TiO2 film
journal, May 2005


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


The hardest known oxide
journal, April 2001

  • Dubrovinsky, L. S.; Dubrovinskaia, N. A.; Swamy, V.
  • Nature, Vol. 410, Issue 6829
  • DOI: 10.1038/35070650

Predicted band-gap pressure coefficients of all diamond and zinc-blende semiconductors: Chemical trends
journal, August 1999


Accurate and simple analytic representation of the electron-gas correlation energy
journal, June 1992


Electronic structure and optical properties of the Co-doped anatase TiO 2 studied from first principles
journal, March 2004


Atomistic simulation of the crystal structures and bulk moduli of TiO 2 polymorphs
journal, April 2001


Unusual Compression Behavior of Anatase TiO 2 Nanocrystals
journal, August 2009


First-principles calculation of nitrogen-tungsten codoping effects on the band structure of anatase-titania
journal, March 2009

  • Long, Run; English, Niall J.
  • Applied Physics Letters, Vol. 94, Issue 13
  • DOI: 10.1063/1.3114608

Strain analysis of photocatalytic TiO2 thin films on polymer substrates
journal, February 2008


Enhancement of Photoinduced Highly Hydrophilic Conversion on TiO 2 Thin Films by Introducing Tensile Stress
journal, October 2003

  • Shibata, Tatsuo; Irie, Hiroshi; Hashimoto, Kazuhito
  • The Journal of Physical Chemistry B, Vol. 107, Issue 39
  • DOI: 10.1021/jp0357830

Band lineups and deformation potentials in the model-solid theory
journal, January 1989


Properties of strained wurtzite GaN and AlN: Ab initio studies
journal, September 2002


Elasticity of TiO 2 rutile to 1800 K
journal, November 1998

  • Isaak, D. G.; Carnes, J. D.; Anderson, O. L.
  • Physics and Chemistry of Minerals, Vol. 26, Issue 1
  • DOI: 10.1007/s002690050158

Role of oxygen vacancy in the plasma-treated TiO2 photocatalyst with visible light activity for NO removal
journal, November 2000

  • Nakamura, Isao; Negishi, Nobuaki; Kutsuna, Shuzo
  • Journal of Molecular Catalysis A: Chemical, Vol. 161, Issue 1-2
  • DOI: 10.1016/S1381-1169(00)00362-9

Design of Narrow-Gap TiO 2 : A Passivated Codoping Approach for Enhanced Photoelectrochemical Activity
journal, January 2009


Ab-initio simulation of elastic constants for some ceramic materials
journal, July 2007


Carbon-doped Anatase TiO 2 Powders as a Visible-light Sensitive Photocatalyst
journal, August 2003

  • Irie, Hiroshi; Watanabe, Yuka; Hashimoto, Kazuhito
  • Chemistry Letters, Vol. 32, Issue 8
  • DOI: 10.1246/cl.2003.772

Elastic constants of single-crystal rutile under pressures to 7.5 kilobars
journal, August 1969