4.6 Article

Effects of oxygen vacancies on the photoexcited carrier lifetime in rutile TiO2

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Dynamics of Photoexcited Small Polarons in Transition-Metal Oxides

Lili Zhang et al.

Summary: The dynamics of small polarons induced by photoexcitation in rutile TiO2 were investigated using ab initio nonadiabatic molecular dynamics simulation, revealing significant differences in polaron formation, migration, and quenching at different temperatures. At low temperature, the polaron is localized on a single Ti atom and quenches slowly, while at increased temperature, thermal phonon excitation stimulates polaron hopping and delocalization, leading to fast polaron quenching within 200 ps.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2021)

Article Chemistry, Multidisciplinary

Soft Lattice and Defect Covalency Rationalize Tolerance of β-CsPbI3 Perovskite Solar Cells to Native Defects

Weibin Chu et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

Review Nanoscience & Nanotechnology

Theoretical insights into the surface physics and chemistry of redox-active oxides

Roger Rousseau et al.

NATURE REVIEWS MATERIALS (2020)

Review Energy & Fuels

Oxygen Vacancy Engineering in Photocatalysis

Yanmei Huang et al.

SOLAR RRL (2020)

Article Chemistry, Physical

Strong Influence of Oxygen Vacancy Location on Charge Carrier Losses in Reduced TiO2 Nanoparticles

Yeonsig Nam et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)

Review Chemistry, Physical

Intrinsic intermediate gap states of TiO2 materials and their roles in charge carrier kinetics

Baoshun Liu et al.

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS (2019)

Article Chemistry, Physical

Suppression of Electron-Hole Recombination by Intrinsic Defects in 2D Monoelemental Material

Lili Zhang et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)

Article Physics, Multidisciplinary

Interplay between Adsorbates and Polarons: CO on Rutile TiO2(110)

Michele Reticcioli et al.

PHYSICAL REVIEW LETTERS (2019)

Review Nanoscience & Nanotechnology

A Surface Science Approach to Unveiling the TiO2 Photocatalytic Mechanism: Correlation between Photocatalytic Activity and Carrier Lifetime

Kenichi Ozawa et al.

E-JOURNAL OF SURFACE SCIENCE AND NANOTECHNOLOGY (2019)

Article Chemistry, Multidisciplinary

Delocalized Impurity Phonon Induced Electron-Hole Recombination in Doped Semiconductors

Lili Zhang et al.

NANO LETTERS (2018)

Review Chemistry, Physical

Excess electrons in reduced rutile and anatase TiO2

Wen-Jin Yin et al.

SURFACE SCIENCE REPORTS (2018)

Article Chemistry, Physical

Direct Z-Scheme Water Splitting Photocatalyst Based on Two-Dimensional Van Der Waals Heterostructures

Ruiqi Zhang et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)

Article Chemistry, Multidisciplinary

Control of Charge Recombination in Perovskites by Oxidation State of Halide Vacancy

Wei Li et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)

Article Chemistry, Physical

Stability of Excess Electrons Introduced by Ti Interstitial in Rutile TiO2(110) Surface

Kazuki Morita et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2017)

Article Chemistry, Physical

Understanding Nonradiative Recombination through Defect-Induced Conical Intersections

Yinan Shu et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)

Article Chemistry, Multidisciplinary

Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface

Qijing Zheng et al.

NANO LETTERS (2017)

Article Chemistry, Physical

Excitation-wavelength-dependent small polaron trapping of photoexcited carriers in α-Fe2O3

Lucas M. Carneiro et al.

NATURE MATERIALS (2017)

Article Materials Science, Multidisciplinary

Polaronic interactions between oxygen vacancies in rutile TiO2

Liang Zhao et al.

PHYSICAL REVIEW B (2017)

Article Chemistry, Physical

What Determines the Lifetime of Photoexcited Carriers on TiO2 Surfaces?

Kenichi Ozawa et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

Article Chemistry, Multidisciplinary

Ultrafast Dynamics of Photongenerated Holes at a CH3OH/TiO2 Rutile Interface

Weibin Chu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)

Article Physics, Multidisciplinary

Engineering Polarons at a Metal Oxide Surface

C. M. Yim et al.

PHYSICAL REVIEW LETTERS (2016)

Article Multidisciplinary Sciences

The Effect of Excess Electron and hole on CO2 Adsorption and Activation on Rutile (110) surface

Wen-Jin Yin et al.

SCIENTIFIC REPORTS (2016)

Article Materials Science, Multidisciplinary

Role of excited states in Shockley-Read-Hall recombination in wide-band-gap semiconductors

Audrius Alkauskas et al.

PHYSICAL REVIEW B (2016)

Review Chemistry, Physical

Time-Domain Ab Initio Modeling of Photoinduced Dynamics at Nanoscale Interfaces

Linjun Wang et al.

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 66 (2015)

Article Physics, Applied

Localized states induced by an oxygen vacancy in rutile TiO2

Chungwei Lin et al.

JOURNAL OF APPLIED PHYSICS (2015)

Article Chemistry, Physical

Reaction Kinetics of Water Molecules with Oxygen Vacancies on Rutile TiO2(110)

Nikolay G. Petrik et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

Article Chemistry, Physical

Computational modeling of self-trapped electrons in rutile TiO2

Likai Yan et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Article Materials Science, Multidisciplinary

Spin-dependent recombination and hyperfine interaction at deep defects

E. L. Ivchenko et al.

PHYSICAL REVIEW B (2015)

Article Materials Science, Multidisciplinary

Deep recombination centers in Cu2ZnSnSe4 revealed by screened-exchange hybrid density functional theory

Ye Sheng Yee et al.

PHYSICAL REVIEW B (2015)

Review Chemistry, Multidisciplinary

Understanding TiO2 Photocatalysis: Mechanisms and Materials

Jenny Schneider et al.

CHEMICAL REVIEWS (2014)

Article Chemistry, Physical

Migration of Holstein Polarons in Anatase TiO2

Likai Yan et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)

Article Chemistry, Physical

Bipolaron Formation Induced by Oxygen Vacancy at Rutile TiO2(110) Surfaces

Taizo Shibuya et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2014)

Article Chemistry, Physical

Fast Energy Relaxation by Trap States Decreases Electron Mobility in TiO2 Nanotubes: Time-Domain Ab lnitio Analysis

Zhenyu Guo et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)

Article Chemistry, Physical

Electron-Hole Recombination Time at TiO2 Single-Crystal Surfaces: Influence of Surface Band Bending

Kenichi Ozawa et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)

Article Chemistry, Multidisciplinary

Strong Covalency-Induced Recombination Centers in Perovskite Solar Cell Material CH3NH3Pbl3

Michael L. Agiorgousis et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)

Article Chemistry, Physical

The nature of excess electrons in anatase and rutile from hybrid DFT and RPA

Clelia Spreafico et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)

Article Physics, Multidisciplinary

Direct View at Excess Electrons in TiO2 Rutile and Anatase

Martin Setvin et al.

PHYSICAL REVIEW LETTERS (2014)

Article Chemistry, Physical

The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems

Alexey V. Akimov et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Chemistry, Physical

Defect-Electron Spreading on the TiO2(110) Semiconductor Surface by Water Adsorption

Zhen Zhang et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)

Article Chemistry, Physical

Ultrafast Nonradiative Relaxation Channels of Tryptophan

Virginia Ovejas et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)

Article Physics, Multidisciplinary

Tunable Polaronic Conduction in Anatase TiO2

S. Moser et al.

PHYSICAL REVIEW LETTERS (2013)

Article Physics, Applied

Determination of electron and hole lifetimes of rutile and anatase TiO2 single crystals

Yasuhiro Yamada et al.

APPLIED PHYSICS LETTERS (2012)

Article Materials Science, Multidisciplinary

Calculation of point defects in rutile TiO2 by the screened-exchange hybrid functional

Hsin-Yi Lee et al.

PHYSICAL REVIEW B (2012)

Article Materials Science, Multidisciplinary

Quantitative theory of the oxygen vacancy and carrier self-trapping in bulk TiO2

Peter Deak et al.

PHYSICAL REVIEW B (2012)

Article Chemistry, Physical

Distribution of Ti3+ Surface Sites in Reduced TiO2

N. Aaron Deskins et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2011)

Article Chemistry, Multidisciplinary

Electron-Induced Dissociation of CO2 on TiO2(110)

Junseok Lee et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)

Article Chemistry, Multidisciplinary

Tuning the Relative Concentration Ratio of Bulk Defects to Surface Defects in TiO2 Nanocrystals Leads to High Photocatalytic Efficiency

Ming Kong et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)

Article Physics, Multidisciplinary

Photocatalytic Activity of Bulk TiO2 Anatase and Rutile Single Crystals Using Infrared Absorption Spectroscopy

Mingchun Xu et al.

PHYSICAL REVIEW LETTERS (2011)

Review Chemistry, Physical

A surface science perspective on TiO2 photocatalysis

Michael A. Henderson

SURFACE SCIENCE REPORTS (2011)

Article Chemistry, Physical

DFT plus U study of defects in bulk rutile TiO2

Jess Stausholm-Moller et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Materials Science, Multidisciplinary

Electronic correlation effects in reduced rutile TiO2 within the LDA+U method

Seong-Geon Park et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Hybrid functional studies of the oxygen vacancy in TiO2

A. Janotti et al.

PHYSICAL REVIEW B (2010)

Article Physics, Multidisciplinary

Charge Localization Dynamics Induced by Oxygen Vacancies on the TiO2(110) Surface

Piotr M. Kowalski et al.

PHYSICAL REVIEW LETTERS (2010)

Article Multidisciplinary Sciences

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)

Article Chemistry, Physical

Nature of Ti Interstitials in Reduced Bulk Anatase and Rutile TiO2

Emanuele Finazzi et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2009)

Article Physics, Multidisciplinary

Design of Narrow-Gap TiO2: A Passivated Codoping Approach for Enhanced Photoelectrochemical Activity

Yanqin Gai et al.

PHYSICAL REVIEW LETTERS (2009)

Article Physics, Multidisciplinary

Trajectory surface hopping in the time-dependent Kohn-Sham approach for electron-nuclear dynamics

CF Craig et al.

PHYSICAL REVIEW LETTERS (2005)

Article Materials Science, Multidisciplinary

Validity of simplified Shockley-Read-Hall statistics for modeling carrier lifetimes in crystalline silicon

D Macdonald et al.

PHYSICAL REVIEW B (2003)