Limitation and extrapolation correction of the GGA + U formalism: a case study of Nb-doped anatase TiO2
Published 2013 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Limitation and extrapolation correction of the GGA + U formalism: a case study of Nb-doped anatase TiO2
Authors
Keywords
-
Journal
Journal of Materials Chemistry C
Volume 1, Issue 23, Pages 3736
Publisher
Royal Society of Chemistry (RSC)
Online
2013-04-16
DOI
10.1039/c3tc30370e
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Origin of significant visible-light absorption properties of Mn-doped TiO2 thin films
- (2012) X.H. Xia et al. ACTA MATERIALIA
- Electronic properties of rutile TiO2 doped with 4d transition metals: First-principles study
- (2012) Kenan Song et al. JOURNAL OF ALLOYS AND COMPOUNDS
- Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions
- (2011) Mengqiu Long et al. ACS Nano
- Electronic Properties of Rutile TiO2 with Nonmetal Dopants from First Principles
- (2011) Xiaoping Han et al. Journal of Physical Chemistry C
- First-principles study of electronic and structural properties of CuO
- (2011) Burak Himmetoglu et al. PHYSICAL REVIEW B
- Single-Crystalline Dodecahedral and Octodecahedralα-Fe2O3 Particles Synthesized by a Fluoride Anion-Assisted Hydrothermal Method
- (2010) Baoliang Lv et al. ADVANCED FUNCTIONAL MATERIALS
- Strategy for Preparing Al-Doped ZnO Thin Film with High Mobility and High Stability
- (2010) Zhibing Zhan et al. CRYSTAL GROWTH & DESIGN
- Electron Scattering Mechanism of FTO Films Grown by Spray Pyrolysis Method
- (2010) Minoru Oshima et al. JOURNAL OF ELECTRONIC MATERIALS
- Al-Doped ZnO Thin Film: A New Transparent Conducting Layer for ZnO Nanowire-Based Dye-Sensitized Solar Cells
- (2010) Sung-Hae Lee et al. Journal of Physical Chemistry C
- Intrinsic n-type Defect Formation in TiO2: A Comparison of Rutile and Anatase from GGA+U Calculations
- (2010) Benjamin J. Morgan et al. Journal of Physical Chemistry C
- Phase selection and visible light photo-catalytic activity of Fe-doped TiO2 prepared by the hydrothermal method
- (2010) Lin Wan et al. MATERIALS RESEARCH BULLETIN
- Energetic stability and magnetic properties of MnO in the rocksalt, wurtzite, and zinc-blende structures: Influence of exchange and correlation
- (2010) A. Schrön et al. PHYSICAL REVIEW B
- Epitaxial Growth and Properties of Doped Transition Metal and Complex Oxide Films
- (2009) Scott A. Chambers ADVANCED MATERIALS
- Effect of fluorine doping on highly transparent conductive spray deposited nanocrystalline tin oxide thin films
- (2009) A.V. Moholkar et al. APPLIED SURFACE SCIENCE
- Modeling the polaronic nature of p-type defects in Cu2O: The failure of GGA and GGA+U
- (2009) David O. Scanlon et al. JOURNAL OF CHEMICAL PHYSICS
- Small polarons in Nb- and Ta-doped rutile and anatase TiO2
- (2009) Benjamin J. Morgan et al. JOURNAL OF MATERIALS CHEMISTRY
- Influence of Subsurface Defects on the Surface Reactivity of TiO2: Water on Anatase (101)
- (2009) Ulrich Aschauer et al. Journal of Physical Chemistry C
- Nb-Doped TiO2: A New Compact Layer Material for TiO2 Dye-Sensitized Solar Cells
- (2009) Sangwook Lee et al. Journal of Physical Chemistry C
- Red Shift in Manganese- and Iron-Doped TiO2: A DFT+U Analysis
- (2009) Guosheng Shao Journal of Physical Chemistry C
- A Density Functional Theory + U Study of Oxygen Vacancy Formation at the (110), (100), (101), and (001) Surfaces of Rutile TiO2
- (2009) Benjamin J. Morgan et al. Journal of Physical Chemistry C
- Nature of Ti Interstitials in Reduced Bulk Anatase and Rutile TiO2
- (2009) Emanuele Finazzi et al. Journal of Physical Chemistry C
- Localized Electronic States from Surface Hydroxyls and Polarons in TiO2(110)
- (2009) N. Aaron Deskins et al. Journal of Physical Chemistry C
- Quasiparticle band structures of the antiferromagnetic transition-metal oxides MnO, FeO, CoO, and NiO
- (2009) C. Rödl et al. PHYSICAL REVIEW B
- Transparent conducting Nb-doped anatase TiO2 (TNO) thin films sputtered from various oxide targets
- (2009) Naoomi Yamada et al. THIN SOLID FILMS
- Low-temperature Fabrication of Transparent Conducting Anatase Nb-doped TiO2Films by Sputtering
- (2008) Ngoc Lam Huong Hoang et al. Applied Physics Express
- Electronic Band Structure of Transparent Conductor: Nb-Doped Anatase TiO2
- (2008) Taro Hitosugi et al. Applied Physics Express
- Electronic structure and optical properties of Nb-doped anatase TiO2
- (2008) X. D. Liu et al. APPLIED PHYSICS LETTERS
- Electronic Structures of Manganese-Doped Rutile TiO2 from First Principles
- (2008) G. Shao Journal of Physical Chemistry C
- Sources of Electrical Conductivity inSnO2
- (2008) Abhishek Kumar Singh et al. PHYSICAL REVIEW LETTERS
- Fabrication of TiO2-based transparent conducting oxide on glass and polyimide substrates
- (2008) T. Hitosugi et al. THIN SOLID FILMS
- Pulsed laser deposited Nb doped TiO2 as a transparent conducting oxide
- (2007) Matthew S. Dabney et al. THIN SOLID FILMS
- Transparent conductive Nb-doped TiO2 films deposited by direct-current magnetron sputtering using a TiO2−x target
- (2007) Yasushi Sato et al. THIN SOLID FILMS
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started