Understanding Nonradiative Recombination through Defect-Induced Conical Intersections
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August 2017 |
Non-radiative transitions in semiconductors
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December 1981 |
Ultrafast Nonradiative Relaxation Channels of Tryptophan
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May 2013 |
Recombination activity of interstitial iron and other transition metal point defects in p- and n-type crystalline silicon
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November 2004 |
Deep recombination centers in C u 2 ZnSnS e 4 revealed by screened-exchange hybrid density functional theory
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November 2015 |
Strong Covalency-Induced Recombination Centers in Perovskite Solar Cell Material CH 3 NH 3 PbI 3
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October 2014 |
Spin-dependent recombination and hyperfine interaction at deep defects
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May 2015 |
Sulfur Adatom and Vacancy Accelerate Charge Recombination in MoS 2 but by Different Mechanisms: Time-Domain Ab Initio Analysis
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November 2017 |
Why Chemical Vapor Deposition Grown MoS 2 Samples Outperform Physical Vapor Deposition Samples: Time-Domain ab Initio Analysis
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May 2018 |
Control of Charge Recombination in Perovskites by Oxidation State of Halide Vacancy
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October 2018 |
Fast Energy Relaxation by Trap States Decreases Electron Mobility in TiO 2 Nanotubes: Time-Domain Ab Initio Analysis
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April 2014 |
Strong Influence of Oxygen Vacancy Location on Charge Carrier Losses in Reduced TiO 2 Nanoparticles
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May 2019 |
Excitation-wavelength-dependent small polaron trapping of photoexcited carriers in α-Fe2O3
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July 2017 |
Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination
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February 2020 |
Soft Lattice and Defect Covalency Rationalize Tolerance of β‐CsPbI 3 Perovskite Solar Cells to Native Defects
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February 2020 |
The surface science of titanium dioxide
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January 2003 |
A surface science perspective on TiO2 photocatalysis
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June 2011 |
Oxygen deficiency in Ti O 2 : Similarities and differences between the Ti self-interstitial and the O vacancy in bulk rutile and anatase
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July 2015 |
Nature of Ti Interstitials in Reduced Bulk Anatase and Rutile TiO 2
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February 2009 |
Stability of Excess Electrons Introduced by Ti Interstitial in Rutile TiO 2 (110) Surface
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January 2017 |
Distribution of Ti 3+ Surface Sites in Reduced TiO 2
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March 2011 |
Theoretical insights into the surface physics and chemistry of redox-active oxides
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May 2020 |
The Effect of Excess Electron and hole on CO2 Adsorption and Activation on Rutile (110) surface
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March 2016 |
Electron traps and their effect on the surface chemistry of TiO2(110)
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January 2010 |
Interplay between Adsorbates and Polarons: CO on Rutile TiO 2 ( 110 )
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January 2019 |
Electron-Induced Dissociation of CO 2 on TiO 2 (110)
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July 2011 |
Reaction Kinetics of Water Molecules with Oxygen Vacancies on Rutile TiO 2 (110)
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September 2015 |
Defect-Electron Spreading on the TiO 2 (110) Semiconductor Surface by Water Adsorption
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February 2013 |
Tunable Polaronic Conduction in Anatase TiO 2
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May 2013 |
The nature of excess electrons in anatase and rutile from hybrid DFT and RPA
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January 2014 |
Polaronic interactions between oxygen vacancies in rutile Ti O 2
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February 2017 |
Computational modeling of self-trapped electrons in rutile TiO 2
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January 2015 |
Engineering Polarons at a Metal Oxide Surface
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September 2016 |
Migration of Holstein Polarons in Anatase TiO 2
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October 2014 |
Bipolaron Formation Induced by Oxygen Vacancy at Rutile TiO 2 (110) Surfaces
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April 2014 |
Charge Localization Dynamics Induced by Oxygen Vacancies on the TiO 2 ( 110 ) Surface
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September 2010 |
Direct View at Excess Electrons in TiO 2 Rutile and Anatase
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August 2014 |
DFT+U study of defects in bulk rutile TiO2
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October 2010 |
Dynamics of Photoexcited Small Polarons in Transition-Metal Oxides
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February 2021 |
Time-Domain Ab Initio Modeling of Photoinduced Dynamics at Nanoscale Interfaces
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April 2015 |
Ultrafast Dynamics of Photongenerated Holes at a CH 3 OH/TiO 2 Rutile Interface
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October 2016 |
Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface
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September 2017 |
Direct Z-Scheme Water Splitting Photocatalyst Based on Two-Dimensional Van Der Waals Heterostructures
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September 2018 |
Unravelling the Effects of Grain Boundary and Chemical Doping on Electron–Hole Recombination in CH 3 NH 3 PbI 3 Perovskite by Time-Domain Atomistic Simulation
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March 2016 |
Grain Boundaries Are Benign and Suppress Nonradiative Electron–Hole Recombination in Monolayer Black Phosphorus: A Time-Domain Ab Initio Study
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June 2018 |
Delocalized Impurity Phonon Induced Electron–Hole Recombination in Doped Semiconductors
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February 2018 |
Suppression of Electron–Hole Recombination by Intrinsic Defects in 2D Monoelemental Material
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September 2019 |
Mono-Elemental Properties of 2D Black Phosphorus Ensure Extended Charge Carrier Lifetimes under Oxidation: Time-Domain Ab Initio Analysis
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February 2019 |
Unraveling the quantum dynamics origin of high photocatalytic activity in nitrogen-doped anatase TiO 2 : time-domain ab initio analysis
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January 2020 |
The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems
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October 2013 |
Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherence Effects, Multiexcitonic States, and Field-Matter Interaction
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January 2014 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics
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October 2005 |
Quantitative theory of the oxygen vacancy and carrier self-trapping in bulk TiO 2
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November 2012 |
Calculation of point defects in rutile TiO 2 by the screened-exchange hybrid functional
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August 2012 |
Electronic correlation effects in reduced rutile TiO 2 within the LDA + U method
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September 2010 |
Hybrid functional studies of the oxygen vacancy in TiO 2
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February 2010 |
Excess electrons in reduced rutile and anatase TiO 2
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May 2018 |
Localized states induced by an oxygen vacancy in rutile TiO2
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June 2015 |
Oxygen Vacancy Engineering in Photocatalysis
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March 2020 |
A Surface Science Approach to Unveiling the TiO2 Photocatalytic Mechanism: Correlation between Photocatalytic Activity and Carrier Lifetime
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September 2019 |
What Determines the Lifetime of Photoexcited Carriers on TiO 2 Surfaces?
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December 2016 |
Understanding TiO 2 Photocatalysis: Mechanisms and Materials
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May 2014 |
Tuning the Relative Concentration Ratio of Bulk Defects to Surface Defects in TiO 2 Nanocrystals Leads to High Photocatalytic Efficiency
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October 2011 |
Study of the Bulk Charge Carrier Dynamics in Anatase and Rutile TiO2 Single Crystals by Femtosecond Time-Resolved Spectroscopy
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April 2018 |
Intrinsic intermediate gap states of TiO2 materials and their roles in charge carrier kinetics
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June 2019 |
A facile and versatile method for preparation of colored TiO 2 with enhanced solar-driven photocatalytic activity
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January 2014 |
Charge Carrier Dynamics of Standard TiO2 Catalysts Revealed by Femtosecond Diffuse Reflectance Spectroscopy
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April 1999 |
Transient Absorption Spectroscopy of Anatase and Rutile: The Impact of Morphology and Phase on Photocatalytic Activity
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May 2015 |
Photocatalytic Activity of Bulk TiO 2 Anatase and Rutile Single Crystals Using Infrared Absorption Spectroscopy
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March 2011 |
Electron–Hole Recombination Time at TiO 2 Single-Crystal Surfaces: Influence of Surface Band Bending
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May 2014 |
Determination of electron and hole lifetimes of rutile and anatase TiO 2 single crystals
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September 2012 |
Statistics of the Recombinations of Holes and Electrons
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September 1952 |
Validity of simplified Shockley-Read-Hall statistics for modeling carrier lifetimes in crystalline silicon
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February 2003 |
Role of excited states in Shockley-Read-Hall recombination in wide-band-gap semiconductors
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May 2016 |
Design of Narrow-Gap TiO 2 : A Passivated Codoping Approach for Enhanced Photoelectrochemical Activity
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January 2009 |
The Role of Metal Ion Dopants in Quantum-Sized TiO 2 : Correlation between Photoreactivity and Charge Carrier Recombination Dynamics
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December 1994 |
Charge-Carrier Dynamics in Nitrogen-Doped TiO2 Powder Studied by Femtosecond Time-Resolved Diffuse Reflectance Spectroscopy
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December 2011 |
Nonradiative Electron–Hole Recombination Rate Is Greatly Reduced by Defects in Monolayer Black Phosphorus: Ab Initio Time Domain Study
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February 2016 |
The Interplay Between Lead Vacancy and Water Rationalizes the Puzzle of Charge Carrier Lifetimes in CH 3 NH 3 PbI 3 : Time‐Domain Ab Initio Analysis
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June 2020 |