Related references
Note: Only part of the references are listed.The source of the Ti 3d defect state in the band gap of rutile titania (110) surfaces
K. Mitsuhara et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Electronic and magnetic properties of Ti2O3, Cr2O3, and Fe2O3 calculated by the screened exchange hybrid density functional
Yuzheng Guo et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2012)
Hybrid functional calculations of the Al impurity in α quartz: Hole localization and electron paramagnetic resonance parameters
Roland Gillen et al.
PHYSICAL REVIEW B (2012)
Intrinsic Nature of the Excess Electron Distribution at the TiO2(110) Surface
P. Krueger et al.
PHYSICAL REVIEW LETTERS (2012)
Electronic Structure of Partially Reduced Rutile TiO2(110) Surface: Where Are the Unpaired Electrons Located?
Steeve Chretien et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Distribution of Ti3+ Surface Sites in Reduced TiO2
N. Aaron Deskins et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Bulk and Surface Polarons in Photoexcited Anatase TiO2
Cristiana Di Valentin et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
On the identification of the oxygen vacancy in HfO2
S. J. Clark et al.
MICROELECTRONIC ENGINEERING (2011)
Polaronic effects in TiO2 calculated by the HSE06 hybrid functional: Dopant passivation by carrier self-trapping
Peter Deak et al.
PHYSICAL REVIEW B (2011)
DFT plus U study of defects in bulk rutile TiO2
Jess Stausholm-Moller et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Intrinsic n-type Defect Formation in TiO2: A Comparison of Rutile and Anatase from GGA plus U Calculations
Benjamin J. Morgan et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Deep versus Shallow Behavior of Intrinsic Defects in Rutile and Anatase TiO2 Polymorphs
Giuseppe Mattioli et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Intrinsic defects in ZnO calculated by screened exchange and hybrid density functionals
S. J. Clark et al.
PHYSICAL REVIEW B (2010)
Electronic correlation effects in reduced rutile TiO2 within the LDA+U method
Seong-Geon Park et al.
PHYSICAL REVIEW B (2010)
Screened exchange density functional applied to solids
Stewart J. Clark et al.
PHYSICAL REVIEW B (2010)
Hybrid functional studies of the oxygen vacancy in TiO2
A. Janotti et al.
PHYSICAL REVIEW B (2010)
Charge Localization Dynamics Induced by Oxygen Vacancies on the TiO2(110) Surface
Piotr M. Kowalski et al.
PHYSICAL REVIEW LETTERS (2010)
Oxygen Vacancy Origin of the Surface Band-Gap State of TiO2(110)
C. M. Yim et al.
PHYSICAL REVIEW LETTERS (2010)
Electron traps and their effect on the surface chemistry of TiO2 (110)
Anthoula C. Papageorgiou et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
Redox-Based Resistive Switching Memories - Nanoionic Mechanisms, Prospects, and Challenges
Rainer Waser et al.
ADVANCED MATERIALS (2009)
Photoinduced electron paramagnetic resonance study of electron traps in TiO2 crystals: Oxygen vacancies and Ti3+ ions
Shan Yang et al.
APPLIED PHYSICS LETTERS (2009)
A Density Functional Theory plus U Study of Oxygen Vacancy Formation at the (110), (100), (101), and (001) Surfaces of Rutile TiO2
Benjamin J. Morgan et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Nature of Ti Interstitials in Reduced Bulk Anatase and Rutile TiO2
Emanuele Finazzi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Reduced and n-Type Doped TiO2: Nature of Ti3+ Species
Cristiana Di Valentin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
The role of Ti3+ interstitials in TiO2(110) reduction and oxidation
Michael Bowker et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Polaronic trapping of electrons and holes by native defects in anatase TiO2
Benjamin J. Morgan et al.
PHYSICAL REVIEW B (2009)
Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors
Stephan Lany et al.
PHYSICAL REVIEW B (2009)
Modeling doped and defective oxides in catalysis with density functional theory methods: Room for improvements
Gianfranco Pacchioni
JOURNAL OF CHEMICAL PHYSICS (2008)
Excess electron states in reduced bulk anatase TiO2: Comparison of standard GGA, GGA plus U, and hybrid DFT calculations
Emanuele Finazzi et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Electronic structure of point defects in controlled self-doping of the TiO2 (110) surface:: Combined photoemission spectroscopy and density functional theory study
Michael Nolan et al.
PHYSICAL REVIEW B (2008)
Effect of on-site Coulomb repulsion term U on the band-gap states of the reduced rutile (110) TiO2 surface
Carmen J. Calzado et al.
PHYSICAL REVIEW B (2008)
Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
Stephan Lany et al.
PHYSICAL REVIEW B (2008)
Ab initio study of the electronic states induced by oxygen vacancies in rutile and anatase TiO2
G. Mattioli et al.
PHYSICAL REVIEW B (2008)
Atomic control of conductivity versus ferromagnetism in wide-gap oxides via selective doping:: V, Nb, Ta in anatase TiO2
Jorge Osorio-Guillen et al.
PHYSICAL REVIEW LETTERS (2008)
Localization and delocalization errors in density functional theory and implications for band-gap prediction
Paula Mori-Sanchez et al.
PHYSICAL REVIEW LETTERS (2008)
First-principles study of native defects in rutile TiO2
Haowei Peng
PHYSICS LETTERS A (2008)
The role of interstitial sites in the Ti3d defect state in the band gap of Titania
Stefan Wendt et al.
SCIENCE (2008)
TiO2 photocatalysis and related surface phenomena
Akira Fujishima et al.
SURFACE SCIENCE REPORTS (2008)
A DFT+U description of oxygen vacancies at the TiO2 rutile (110) surface
Benjamin J. Morgan et al.
SURFACE SCIENCE (2007)
Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges
M. Veronica Ganduglia-Pirovano et al.
SURFACE SCIENCE REPORTS (2007)
n-Type doping of TiO2 with atomic hydrogen-observation of the production of conduction band electrons by infrared spectroscopy
Dimitar A. Panayotov et al.
CHEMICAL PHYSICS LETTERS (2007)
Electronic structure of defect states in hydroxylated and reduced rutile TiO2(110) surfaces
Cristiana Di Valentin et al.
PHYSICAL REVIEW LETTERS (2006)
Surface science studies of the photoactivation of TiO2-new photochemical processes
Tracy L. Thompson et al.
CHEMICAL REVIEWS (2006)
Hybrid functionals based on a screened Coulomb potential (vol 118, pg 8207, 2003)
Jochen Heyd et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
First-principles study of point defects in rutile TiO2-x
Eunae Cho et al.
PHYSICAL REVIEW B (2006)
First-principles study of native defects in anatase TiO2
S Na-Phattalung et al.
PHYSICAL REVIEW B (2006)
High dielectric constant gate oxides for metal oxide Si transistors
J Robertson
REPORTS ON PROGRESS IN PHYSICS (2006)
Defect energy levels in HfO2 high-dielectric-constant gate oxide -: art. no. 183505
K Xiong et al.
APPLIED PHYSICS LETTERS (2005)
A theoretical study on the electronic structures of TiO2:: Effect of Hartree-Fock exchange
YF Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
First principles methods using CASTEP
SJ Clark et al.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2005)
Behavior of hydrogen in high dielectric constant oxide gate insulators
PW Peacock et al.
APPLIED PHYSICS LETTERS (2003)
Hybrid functionals based on a screened Coulomb potential
J Heyd et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Theory of dopants and defects in Co-doped TiO2 anatase -: art. no. 144415
JM Sullivan et al.
PHYSICAL REVIEW B (2003)
Insights into photoexcited electron scavenging processes on TiO2 obtained from studies of the reaction of O2 with OH groups adsorbed at electronic defects on TiO2(110)
MA Henderson et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
On the prediction of band gaps from hybrid functional theory
J Muscat et al.
CHEMICAL PHYSICS LETTERS (2001)
Share Paper
