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Title: Band-gap engineering in TiO2-based ternary oxides

Authors:
; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1098874
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Volume: 85 Journal Issue: 19; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

McLeod, J. A., Green, R. J., Kurmaev, E. Z., Kumada, N., Belik, A. A., and Moewes, A. Band-gap engineering in TiO2-based ternary oxides. United States: N. p., 2012. Web. doi:10.1103/PhysRevB.85.195201.
McLeod, J. A., Green, R. J., Kurmaev, E. Z., Kumada, N., Belik, A. A., & Moewes, A. Band-gap engineering in TiO2-based ternary oxides. United States. doi:10.1103/PhysRevB.85.195201.
McLeod, J. A., Green, R. J., Kurmaev, E. Z., Kumada, N., Belik, A. A., and Moewes, A. Fri . "Band-gap engineering in TiO2-based ternary oxides". United States. doi:10.1103/PhysRevB.85.195201.
@article{osti_1098874,
title = {Band-gap engineering in TiO2-based ternary oxides},
author = {McLeod, J. A. and Green, R. J. and Kurmaev, E. Z. and Kumada, N. and Belik, A. A. and Moewes, A.},
abstractNote = {},
doi = {10.1103/PhysRevB.85.195201},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 19,
volume = 85,
place = {United States},
year = {2012},
month = {5}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevB.85.195201

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Cited by: 8 works
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Works referenced in this record:

Resolved Quadrupolar Transition in Ti O 2
journal, December 1977


Band structures of TiO2 doped with N, C and B
journal, April 2006

  • Xu, Tian-hua; Song, Chen-lu; Liu, Yong
  • Journal of Zhejiang University SCIENCE B, Vol. 7, Issue 4
  • DOI: 10.1631/jzus.2006.B0299

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

On the X-ray emission spectra from FeAl
journal, December 1979


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

Band structure engineering of semiconductors for enhanced photoelectrochemical water splitting: The case of TiO 2
journal, July 2010


Structural properties, infrared reflectivity, and Raman modes of SnO at high pressure
journal, November 2004


Sol-Gel Processing of Bi2Ti2O7 and Bi2Ti4O11 Films with Photocatalytic Activity: Sol-Gel Processing of Bi2Ti2O7 and Bi2Ti4O11 Films
journal, April 2010


Analysis of electronic structures of 3d transition metal-doped TiO 2 based on band calculations
journal, October 2002

  • Umebayashi, Tsutomu; Yamaki, Tetsuya; Itoh, Hisayoshi
  • Journal of Physics and Chemistry of Solids, Vol. 63, Issue 10
  • DOI: 10.1016/S0022-3697(02)00177-4

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


First-principles study of ground- and excited-state properties of MgO , ZnO , and CdO polymorphs
journal, June 2006


Powder profile refinement of lead zirconate titanate at several temperatures. II. Pure PbTiO 3
journal, April 1978

  • Glazer, A. M.; Mabud, S. A.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 34, Issue 4
  • DOI: 10.1107/S0567740878004938

Ferroelectric distortion and electronic structure in Bi4Ti3O12
journal, March 2007

  • Noguchi, Yuji; Goto, Takashi; Miyayama, Masaru
  • Journal of Electroceramics, Vol. 21, Issue 1-4
  • DOI: 10.1007/s10832-007-9083-9

Electronic properties of transition-metal oxides—I
journal, January 1957


Phase stability in ferroelectric bismuth titanate: a first-principles study
journal, April 2008

  • Shrinagar, Anurag; Garg, Ashish; Prasad, Rajendra
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 3
  • DOI: 10.1107/S0108767308004601

Über Untersuchungen an Wismutoxid-Aufdampfschichten. I. Herstellung sowie elektrische und optische Eigenschaften
journal, January 1969


First-principles indicators of metallicity and cation off-centricity in the IV-VI rocksalt chalcogenides of divalent Ge, Sn, and Pb
journal, March 2003


First experimental results from IBM/TENN/TULANE/LLNL/LBL undulator beamline at the advanced light source
journal, February 1995

  • Jia, J. J.; Callcott, T. A.; Yurkas, J.
  • Review of Scientific Instruments, Vol. 66, Issue 2
  • DOI: 10.1063/1.1145985

Applications of Engel and Vosko’s generalized gradient approximation in solids
journal, September 1994


Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
journal, June 2009


p-channel thin-film transistor using p-type oxide semiconductor, SnO
journal, July 2008

  • Ogo, Yoichi; Hiramatsu, Hidenori; Nomura, Kenji
  • Applied Physics Letters, Vol. 93, Issue 3
  • DOI: 10.1063/1.2964197

Optical properties of anatase (TiO2)
journal, October 1994


Optimizing photoelectrochemical properties of TiO 2 by chemical codoping
journal, November 2010


Oxygen 1 s x-ray-absorption edges of transition-metal oxides
journal, September 1989


Electronic structures of rocksalt, litharge, and herzenbergite SnO by density functional theory
journal, December 2004


Low temperature neutron diffraction studies on Bi4Ti3O12
journal, May 2007


Pb displacements in Pb(Zr,Ti) O 3 perovskites
journal, February 1996


Oxygen 1 s x-ray absorption of tetravalent titanium oxides: A comparison with single-particle calculations
journal, July 1993


Performance and capabilities of the Canadian Dragon: The SGM beamline at the Canadian Light Source
journal, November 2007

  • Regier, T.; Krochak, J.; Sham, T. K.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 582, Issue 1
  • DOI: 10.1016/j.nima.2007.08.071

Efficient Photochemical Water Splitting by a Chemically Modified n-TiO2
journal, September 2002


Photocatalytic production of hydrogen from water using TiO2 and B/TiO2
journal, May 2000


Combined structural refinement of Bi4Ti3O12 using X-ray and neutron powder diffraction data
journal, May 2004


Effect of doping mode on the photocatalytic activities of Mo/TiO2
journal, May 2004


Monoxyde quadratique PbOα(I): Description de la transition structurale ferroe´lastique
journal, May 1985


Electronic Structure of Transition Metal Ions in a Tetrahedral Lattice
journal, August 1960


The structures of α- and β-Bi2Ti4O11
journal, February 1995

  • Kahlenberg, V.; Böhm, H.
  • Acta Crystallographica Section B Structural Science, Vol. 51, Issue 1
  • DOI: 10.1107/S0108768194004386

VESTA : a three-dimensional visualization system for electronic and structural analysis
journal, May 2008


Advances in computational studies of energy materials
journal, July 2010

  • Catlow, C. R. A.; Guo, Z. X.; Miskufova, M.
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 368, Issue 1923
  • DOI: 10.1098/rsta.2010.0111

Is the Band Gap of Pristine TiO 2 Narrowed by Anion- and Cation-Doping of Titanium Dioxide in Second-Generation Photocatalysts?
journal, December 2006

  • Serpone, Nick
  • The Journal of Physical Chemistry B, Vol. 110, Issue 48
  • DOI: 10.1021/jp065659r

Direction-dependent initial-state relaxation in oxygen K x-ray emission
journal, November 1985


Preparation and crystal structure of a new tin titanate containing Sn2+; Sn2TiO4
journal, June 2009


Nitrogen-Concentration Dependence on Photocatalytic Activity of TiO 2 - x N x Powders
journal, June 2003

  • Irie, Hiroshi; Watanabe, Yuka; Hashimoto, Kazuhito
  • The Journal of Physical Chemistry B, Vol. 107, Issue 23
  • DOI: 10.1021/jp030133h

Electronic structure of the α and δ phases of Bi 2 O 3 : A combined ab initio and x-ray spectroscopy study
journal, June 2006


Synthesis and visible light photocatalysis water splitting property of chromium-doped Bi4Ti3O12
journal, December 2009


H in rutile-type compounds: I. Single-crystal neutron and X-ray diffraction study of H in rutile
journal, June 1995

  • Swope, R. Jeffrey; Smyth, Joseph R.; Larson, Allen C.
  • American Mineralogist, Vol. 80, Issue 5-6
  • DOI: 10.2138/am-1995-5-604

Band gaps and electronic structure of alkaline-earth and post-transition-metal oxides
journal, June 2010


Hydrogen Production over Titania-Based Photocatalysts
journal, April 2010

  • Leung, Dennis Y. C.; Fu, Xianliang; Wang, Cuifang
  • ChemSusChem, Vol. 3, Issue 6
  • DOI: 10.1002/cssc.201000014

Structure and Bonding in SnWO 4 , PbWO 4 , and BiVO 4 :  Lone Pairs vs Inert Pairs
journal, May 2007

  • Stoltzfus, Matthew W.; Woodward, Patrick M.; Seshadri, Ram
  • Inorganic Chemistry, Vol. 46, Issue 10
  • DOI: 10.1021/ic061157g

Electronic structure of Bi M O 3 multiferroics and related oxides
journal, April 2010


Electrical and Optical Properties of Lead Oxide Single Crystals
journal, March 1968

  • Keezer, R. C.; Bowman, D. L.; Becker, J. H.
  • Journal of Applied Physics, Vol. 39, Issue 4
  • DOI: 10.1063/1.1656489

Stereochemistry of post-transition metal oxides: revision of the classical lone pair model
journal, January 2011

  • Walsh, Aron; Payne, David J.; Egdell, Russell G.
  • Chemical Society Reviews, Vol. 40, Issue 9
  • DOI: 10.1039/c1cs15098g

Oxygen x-ray emission and absorption spectra as a probe of the electronic structure of strongly correlated oxides
journal, April 2008


Structure refinement of commensurately modulated bismuth titanate, Bi 4 Ti 3 O 12
journal, August 1990

  • Rae, A. D.; Thompson, J. G.; Withers, R. L.
  • Acta Crystallographica Section B Structural Science, Vol. 46, Issue 4
  • DOI: 10.1107/S0108768190003251

A Variable-Temperature Powder Neutron Diffraction Study of Ferroelectric Bi 4 Ti 3 O 12
journal, November 1999

  • Hervoches, Charles H.; Lightfoot, Philip
  • Chemistry of Materials, Vol. 11, Issue 11
  • DOI: 10.1021/cm991090d

The Crystal Structure of alpha-Bi2O2.
journal, January 1970