相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Dynamics of Photoexcited Small Polarons in Transition-Metal Oxides
Lili Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2021)
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)
Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination
Weibin Chu et al.
SCIENCE ADVANCES (2020)
The Interplay Between Lead Vacancy and Water Rationalizes the Puzzle of Charge Carrier Lifetimes in CH3NH3PbI3: Time-Domain Ab Initio Analysis
Lu Qiao et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
Theoretical insights into the surface physics and chemistry of redox-active oxides
Roger Rousseau et al.
NATURE REVIEWS MATERIALS (2020)
Unraveling the quantum dynamics origin of high photocatalytic activity in nitrogen-doped anatase TiO2: time-domain ab initio analysis
Yating Yang et al.
JOURNAL OF MATERIALS CHEMISTRY A (2020)
Oxygen Vacancy Engineering in Photocatalysis
Yanmei Huang et al.
SOLAR RRL (2020)
Mono-Elemental Properties of 2D Black Phosphorus Ensure Extended Charge Carrier Lifetimes under Oxidation: Time-Domain Ab Initio Analysis
Lili Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)
Strong Influence of Oxygen Vacancy Location on Charge Carrier Losses in Reduced TiO2 Nanoparticles
Yeonsig Nam et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)
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)
Suppression of Electron-Hole Recombination by Intrinsic Defects in 2D Monoelemental Material
Lili Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)
Interplay between Adsorbates and Polarons: CO on Rutile TiO2(110)
Michele Reticcioli et al.
PHYSICAL REVIEW LETTERS (2019)
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)
Study of the Bulk Charge Carrier Dynamics in Anatase and Rutile TiO2 Single Crystals by Femtosecond Time-Resolved Spectroscopy
Partha Maity et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Grain Boundaries Are Benign and Suppress Nonradiative Electron-Hole Recombination in Monolayer Black Phosphorus: A Time-Domain Ab Initio Study
Yaqing Wei et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
Why Chemical Vapor Deposition Grown MoS2 Samples Outperform Physical Vapor Deposition Samples: Time-Domain ab Initio Analysis
Linqiu Li et al.
NANO LETTERS (2018)
Delocalized Impurity Phonon Induced Electron-Hole Recombination in Doped Semiconductors
Lili Zhang et al.
NANO LETTERS (2018)
Excess electrons in reduced rutile and anatase TiO2
Wen-Jin Yin et al.
SURFACE SCIENCE REPORTS (2018)
Direct Z-Scheme Water Splitting Photocatalyst Based on Two-Dimensional Van Der Waals Heterostructures
Ruiqi Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
Control of Charge Recombination in Perovskites by Oxidation State of Halide Vacancy
Wei Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Stability of Excess Electrons Introduced by Ti Interstitial in Rutile TiO2(110) Surface
Kazuki Morita et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Understanding Nonradiative Recombination through Defect-Induced Conical Intersections
Yinan Shu et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)
Sulfur Adatom and Vacancy Accelerate Charge Recombination in MoS2 but by Different Mechanisms: Time-Domain Ab Initio Analysis
Linqiu Li et al.
NANO LETTERS (2017)
Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface
Qijing Zheng et al.
NANO LETTERS (2017)
Excitation-wavelength-dependent small polaron trapping of photoexcited carriers in α-Fe2O3
Lucas M. Carneiro et al.
NATURE MATERIALS (2017)
Polaronic interactions between oxygen vacancies in rutile TiO2
Liang Zhao et al.
PHYSICAL REVIEW B (2017)
What Determines the Lifetime of Photoexcited Carriers on TiO2 Surfaces?
Kenichi Ozawa et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Nonradiative Electron-Hole Recombination Rate Is Greatly Reduced by Defects in Monolayer Black Phosphorus: Ab Initio Time Domain Study
Run Long et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
Unravelling the Effects of Grain Boundary and Chemical Doping on Electron-Hole Recombination in CH3NH3PbI3 Perovskite by Time-Domain Atomistic Simulation
Run Long et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Ultrafast Dynamics of Photongenerated Holes at a CH3OH/TiO2 Rutile Interface
Weibin Chu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Engineering Polarons at a Metal Oxide Surface
C. M. Yim et al.
PHYSICAL REVIEW LETTERS (2016)
The Effect of Excess Electron and hole on CO2 Adsorption and Activation on Rutile (110) surface
Wen-Jin Yin et al.
SCIENTIFIC REPORTS (2016)
Role of excited states in Shockley-Read-Hall recombination in wide-band-gap semiconductors
Audrius Alkauskas et al.
PHYSICAL REVIEW B (2016)
Time-Domain Ab Initio Modeling of Photoinduced Dynamics at Nanoscale Interfaces
Linjun Wang et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 66 (2015)
Localized states induced by an oxygen vacancy in rutile TiO2
Chungwei Lin et al.
JOURNAL OF APPLIED PHYSICS (2015)
Reaction Kinetics of Water Molecules with Oxygen Vacancies on Rutile TiO2(110)
Nikolay G. Petrik et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Transient Absorption Spectroscopy of Anatase and Rutile: The Impact of Morphology and Phase on Photocatalytic Activity
Xiuli Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Computational modeling of self-trapped electrons in rutile TiO2
Likai Yan et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Oxygen deficiency in TiO2: Similarities and differences between the Ti self-interstitial and the O vacancy in bulk rutile and anatase
Peter Deak et al.
PHYSICAL REVIEW B (2015)
Spin-dependent recombination and hyperfine interaction at deep defects
E. L. Ivchenko et al.
PHYSICAL REVIEW B (2015)
Deep recombination centers in Cu2ZnSnSe4 revealed by screened-exchange hybrid density functional theory
Ye Sheng Yee et al.
PHYSICAL REVIEW B (2015)
Understanding TiO2 Photocatalysis: Mechanisms and Materials
Jenny Schneider et al.
CHEMICAL REVIEWS (2014)
Migration of Holstein Polarons in Anatase TiO2
Likai Yan et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherenc:e Effects, Multiexcitonic States, and Field-Matter Interaction
Alexey V. Akimov et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Bipolaron Formation Induced by Oxygen Vacancy at Rutile TiO2(110) Surfaces
Taizo Shibuya et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
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)
Electron-Hole Recombination Time at TiO2 Single-Crystal Surfaces: Influence of Surface Band Bending
Kenichi Ozawa et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
Strong Covalency-Induced Recombination Centers in Perovskite Solar Cell Material CH3NH3Pbl3
Michael L. Agiorgousis et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
A facile and versatile method for preparation of colored TiO2 with enhanced solar-driven photocatalytic activity
Huaqiao Tan et al.
NANOSCALE (2014)
The nature of excess electrons in anatase and rutile from hybrid DFT and RPA
Clelia Spreafico et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Direct View at Excess Electrons in TiO2 Rutile and Anatase
Martin Setvin et al.
PHYSICAL REVIEW LETTERS (2014)
The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems
Alexey V. Akimov et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Defect-Electron Spreading on the TiO2(110) Semiconductor Surface by Water Adsorption
Zhen Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Ultrafast Nonradiative Relaxation Channels of Tryptophan
Virginia Ovejas et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Tunable Polaronic Conduction in Anatase TiO2
S. Moser et al.
PHYSICAL REVIEW LETTERS (2013)
Determination of electron and hole lifetimes of rutile and anatase TiO2 single crystals
Yasuhiro Yamada et al.
APPLIED PHYSICS LETTERS (2012)
Charge-Carrier Dynamics in Nitrogen-Doped TiO2 Powder Studied by Femtosecond Time-Resolved Diffuse Reflectance Spectroscopy
Ken-ichi Yamanaka et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Calculation of point defects in rutile TiO2 by the screened-exchange hybrid functional
Hsin-Yi Lee et al.
PHYSICAL REVIEW B (2012)
Quantitative theory of the oxygen vacancy and carrier self-trapping in bulk TiO2
Peter Deak et al.
PHYSICAL REVIEW B (2012)
Distribution of Ti3+ Surface Sites in Reduced TiO2
N. Aaron Deskins et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Electron-Induced Dissociation of CO2 on TiO2(110)
Junseok Lee et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
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)
Photocatalytic Activity of Bulk TiO2 Anatase and Rutile Single Crystals Using Infrared Absorption Spectroscopy
Mingchun Xu et al.
PHYSICAL REVIEW LETTERS (2011)
A surface science perspective on TiO2 photocatalysis
Michael A. Henderson
SURFACE SCIENCE REPORTS (2011)
DFT plus U study of defects in bulk rutile TiO2
Jess Stausholm-Moller et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Electronic correlation effects in reduced rutile TiO2 within the LDA+U method
Seong-Geon Park 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)
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)
Nature of Ti Interstitials in Reduced Bulk Anatase and Rutile TiO2
Emanuele Finazzi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Design of Narrow-Gap TiO2: A Passivated Codoping Approach for Enhanced Photoelectrochemical Activity
Yanqin Gai et al.
PHYSICAL REVIEW LETTERS (2009)
Trajectory surface hopping in the time-dependent Kohn-Sham approach for electron-nuclear dynamics
CF Craig et al.
PHYSICAL REVIEW LETTERS (2005)
Recombination activity of interstitial iron and other transition metal point defects in p- and n-type crystalline silicon
D Macdonald et al.
APPLIED PHYSICS LETTERS (2004)
Validity of simplified Shockley-Read-Hall statistics for modeling carrier lifetimes in crystalline silicon
D Macdonald et al.
PHYSICAL REVIEW B (2003)