A systematic study of polarons due to oxygen vacancy formation at the rutile TiO2(110) surface by GGA +Uand HSE06 methods
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Title
A systematic study of polarons due to oxygen vacancy formation at the rutile TiO2(110) surface by GGA +Uand HSE06 methods
Authors
Keywords
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Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 24, Issue 43, Pages 435504
Publisher
IOP Publishing
Online
2012-10-04
DOI
10.1088/0953-8984/24/43/435504
References
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Related references
Note: Only part of the references are listed.- Electronic Structure of Partially Reduced Rutile TiO2(110) Surface: Where Are the Unpaired Electrons Located?
- (2011) Steeve Chrétien et al. Journal of Physical Chemistry C
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- (2011) B. B. Kappes et al. PHYSICAL REVIEW B
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- (2011) Peter Deák et al. PHYSICAL REVIEW B
- Hybrid functional studies of the oxygen vacancy inTiO2
- (2010) A. Janotti et al. PHYSICAL REVIEW B
- Yim, Pang, and Thornton Reply:
- (2010) C. M. Yim et al. PHYSICAL REVIEW LETTERS
- Comment on “Oxygen Vacancy Origin of the Surface Band-Gap State ofTiO2(110)”
- (2010) S. Wendt et al. PHYSICAL REVIEW LETTERS
- Charge Localization Dynamics Induced by Oxygen Vacancies on theTiO2(110)Surface
- (2010) Piotr M. Kowalski et al. PHYSICAL REVIEW LETTERS
- Oxygen Vacancy Origin of the Surface Band-Gap State ofTiO2(110)
- (2010) C. M. Yim et al. PHYSICAL REVIEW LETTERS
- The electronic structure of oxygen atom vacancy and hydroxyl impurity defects on titanium dioxide (110) surface
- (2009) Taketoshi Minato et al. JOURNAL OF CHEMICAL PHYSICS
- Chemical reactions on rutile TiO2(110)
- (2008) Chi Lun Pang et al. CHEMICAL SOCIETY REVIEWS
- Heterogeneous photocatalyst materials for water splitting
- (2008) Akihiko Kudo et al. CHEMICAL SOCIETY REVIEWS
- Structural and Electronic Properties of Selected Rutile and Anatase TiO2Surfaces: An ab Initio Investigation
- (2008) Frédéric Labat et al. Journal of Chemical Theory and Computation
- Ab-initiosimulations of materials using VASP: Density-functional theory and beyond
- (2008) Jürgen Hafner JOURNAL OF COMPUTATIONAL CHEMISTRY
- Hybrid functionals applied to extended systems
- (2008) M Marsman et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Defect States at theTiO2(110)Surface Probed by Resonant Photoelectron Diffraction
- (2008) P. Krüger et al. PHYSICAL REVIEW LETTERS
- The Role of Interstitial Sites in the Ti3d Defect State in the Band Gap of Titania
- (2008) S. Wendt et al. SCIENCE
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