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Title: Interactions of same-row oxygen vacancies on rutile TiO2(110)

Authors:
; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1100905
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: 84 Journal Issue: 16; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Kappes, B. B., Maddox, W. B., Acharya, D. P., Sutter, P., and Ciobanu, C. V. Interactions of same-row oxygen vacancies on rutile TiO2(110). United States: N. p., 2011. Web. https://doi.org/10.1103/PhysRevB.84.161402.
Kappes, B. B., Maddox, W. B., Acharya, D. P., Sutter, P., & Ciobanu, C. V. Interactions of same-row oxygen vacancies on rutile TiO2(110). United States. https://doi.org/10.1103/PhysRevB.84.161402
Kappes, B. B., Maddox, W. B., Acharya, D. P., Sutter, P., and Ciobanu, C. V. Thu . "Interactions of same-row oxygen vacancies on rutile TiO2(110)". United States. https://doi.org/10.1103/PhysRevB.84.161402.
@article{osti_1100905,
title = {Interactions of same-row oxygen vacancies on rutile TiO2(110)},
author = {Kappes, B. B. and Maddox, W. B. and Acharya, D. P. and Sutter, P. and Ciobanu, C. V.},
abstractNote = {},
doi = {10.1103/PhysRevB.84.161402},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 16,
volume = 84,
place = {United States},
year = {2011},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.84.161402

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Cited by: 1 work
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Works referenced in this record:

Solid state gas sensors
journal, March 1997


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

Photoelectrochemical cells
journal, November 2001


Imaging Intrinsic Diffusion of Bridge-Bonded Oxygen Vacancies on TiO 2 ( 110 )
journal, September 2007


Elastic effects on surface physics
journal, August 2004


Electronic properties of rutile Ti O 2 ultrathin films: Odd-even oscillations with the number of layers
journal, July 2004


Localized Electronic States from Surface Hydroxyls and Polarons in TiO 2 (110)
journal, July 2009

  • Deskins, N. Aaron; Rousseau, Roger; Dupuis, Michel
  • The Journal of Physical Chemistry C, Vol. 113, Issue 33
  • DOI: 10.1021/jp9037655

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


Handbook of Mathematical Functions
journal, February 1966

  • McQuarrie, Donald A.
  • American Journal of Physics, Vol. 34, Issue 2
  • DOI: 10.1119/1.1972842

Photocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected Results
journal, May 1995

  • Linsebigler, Amy L.; Lu, Guangquan.; Yates, John T.
  • Chemical Reviews, Vol. 95, Issue 3
  • DOI: 10.1021/cr00035a013

Oxygen Vacancies as Active Sites for Water Dissociation on Rutile TiO 2 ( 110 )
journal, December 2001


Activity of CeOx and TiOx Nanoparticles Grown on Au(111) in the Water-Gas Shift Reaction
journal, December 2007


A DFT+U description of oxygen vacancies at the TiO2 rutile (110) surface
journal, November 2007


Electronic Structure of Partially Reduced Rutile TiO 2 (110) Surface: Where Are the Unpaired Electrons Located?
journal, February 2011

  • Chrétien, Steeve; Metiu, Horia
  • The Journal of Physical Chemistry C, Vol. 115, Issue 11
  • DOI: 10.1021/jp111209a

Elastic interaction of two atoms adsorbed on a solid surface
journal, July 1977


O2 and Vacancy Diffusion on Rutile(110): Pathways and Electronic Properties
journal, September 2005


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


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


O 2 Interaction and Reactivity on a Model Hydroxylated Rutile(110) Surface
journal, November 2005

  • Tilocca, Antonio; Di Valentin, Cristiana; Selloni, Annabella
  • The Journal of Physical Chemistry B, Vol. 109, Issue 44
  • DOI: 10.1021/jp0544181

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

  • Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
  • Physical Review B, Vol. 57, Issue 3, p. 1505-1509
  • DOI: 10.1103/PhysRevB.57.1505

Defect interactions on solid surfaces
journal, March 1993


Mechanism of Electron-Induced Hydrogen Desorption from Hydroxylated Rutile TiO 2 (110)
journal, November 2010

  • Acharya, D. P.; Ciobanu, C. V.; Camillone, N.
  • The Journal of Physical Chemistry C, Vol. 114, Issue 49
  • DOI: 10.1021/jp107262b

An Introduction to Probability Theory and Its Applications
journal, April 1958

  • Feller, William; Morse, Philip M.
  • Physics Today, Vol. 11, Issue 4
  • DOI: 10.1063/1.3062516

Adsorption of gold on stoichiometric and reduced rutile TiO2 (110) surfaces
journal, April 2003

  • Vijay, Amrendra; Mills, Greg; Metiu, Horia
  • The Journal of Chemical Physics, Vol. 118, Issue 14
  • DOI: 10.1063/1.1557919

Interactions of Carbon Atoms and Dimer Vacancies on the Si(001) Surface
journal, January 2005

  • Ciobanu, Cristian V.; Barbu, Adrian; Briggs, Ryan M.
  • Journal of Engineering Materials and Technology, Vol. 127, Issue 4
  • DOI: 10.1115/1.2019898

Intrinsic defects on a TiO2(110)(1×1) surface and their reaction with oxygen: a scanning tunneling microscopy study
journal, August 1998


The surface science of titanium dioxide
journal, January 2003


Anisotropic elastic analysis and atomistic simulation of adatom-adatom interactions on solid surfaces
journal, November 1997


Adsorption, diffusion, and dissociation of molecular oxygen at defected TiO2(110): A density functional theory study
journal, January 2004

  • Rasmussen, M. D.; Molina, L. M.; Hammer, B.
  • The Journal of Chemical Physics, Vol. 120, Issue 2
  • DOI: 10.1063/1.1631922

Atomic-scale perspective on the origin of attractive step interactions on Si(113)
journal, November 2003

  • Ciobanu, Cristian V.; Tambe, Dhananjay T.; Shenoy, Vivek B.
  • Physical Review B, Vol. 68, Issue 20
  • DOI: 10.1103/PhysRevB.68.201302

Formation and diffusion of oxygen-vacancy pairs on TiO2(110)-(1×1)
journal, July 2008

  • Cui, Xuefeng; Wang, Bing; Wang, Zhuo
  • The Journal of Chemical Physics, Vol. 129, Issue 4
  • DOI: 10.1063/1.2955448

Direct visualization of defect-mediated dissociation of water on TiO2(110)
journal, February 2006

  • Bikondoa, Oier; Pang, Chi L.; Ithnin, Roslinda
  • Nature Materials, Vol. 5, Issue 3
  • DOI: 10.1038/nmat1592