Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
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May 2009 |
Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites
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October 2012 |
Controllable Grain Morphology of Perovskite Absorber Film by Molecular Self-Assembly toward Efficient Solar Cell Exceeding 17%
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August 2015 |
Conformal quantum dot–SnO 2 layers as electron transporters for efficient perovskite solar cells
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January 2022 |
Fabrication of Efficient Low-Bandgap Perovskite Solar Cells by Combining Formamidinium Tin Iodide with Methylammonium Lead Iodide
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September 2016 |
Photon recycling in lead iodide perovskite solar cells
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March 2016 |
Direct measurement of the exciton binding energy and effective masses for charge carriers in organic–inorganic tri-halide perovskites
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June 2015 |
Carrier Diffusion Lengths of over 500 nm in Lead-Free Perovskite CH 3 NH 3 SnI 3 Films
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October 2016 |
Low-frequency optical phonon modes and carrier mobility in the halide perovskite CH 3 NH 3 PbBr 3 using terahertz time-domain spectroscopy
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November 2017 |
Perovskite CH 3 NH 3 PbI 3 (Cl) Single Crystals: Rapid Solution Growth, Unparalleled Crystalline Quality, and Low Trap Density toward 10 8 cm –3
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July 2016 |
Directional Growth of Ultralong CsPbBr 3 Perovskite Nanowires for High-Performance Photodetectors
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October 2017 |
Bright and Stable Light-Emitting Diodes Based on Perovskite Quantum Dots in Perovskite Matrix
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September 2021 |
Output Coupling of Perovskite Lasers from Embedded Nanoscale Plasmonic Waveguides
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February 2016 |
Two-Dimensional Hybrid Perovskite-Type Ferroelectric for Highly Polarization-Sensitive Shortwave Photodetection
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January 2019 |
The Fate of the Peroxyl Radical in Autoxidation: How Does Polymer Degradation Really Occur?
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July 2018 |
The Role of Oxygen in the Degradation of Methylammonium Lead Trihalide Perovskite Photoactive Layers
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May 2015 |
Ab initio study of the role of oxygen and excess electrons in the degradation of CH 3 NH 3 PbI 3
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January 2017 |
Photo-oxidative degradation of methylammonium lead iodide perovskite: mechanism and protection
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January 2019 |
Why Oxygen Increases Carrier Lifetimes but Accelerates Degradation of CH 3 NH 3 PbI 3 under Light Irradiation: Time-Domain Ab Initio Analysis
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July 2020 |
Advanced hermetic encapsulation of perovskite solar cells: the route to commercialization
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January 2020 |
Ion Migration Accelerated Reaction between Oxygen and Metal Halide Perovskites in Light and Its Suppression by Cesium Incorporation
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January 2021 |
Suppression of Oxidative Degradation of Tin–Lead Hybrid Organometal Halide Perovskite Solar Cells by Ag Doping
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September 2020 |
Magnesium-Doped MAPbI 3 Perovskite Layers for Enhanced Photovoltaic Performance in Humid Air Atmosphere
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July 2018 |
Calcium doped MAPbI 3 with better energy state alignment in perovskite solar cells
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May 2018 |
Efficient planar perovskite solar cells using halide Sr-substituted Pb perovskite
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June 2017 |
Enhancing perovskite solar cell performance and stability by doping barium in methylammonium lead halide
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January 2017 |
Computational Study of Structural and Electronic Properties of Lead-Free CsMI 3 Perovskites (M = Ge, Sn, Pb, Mg, Ca, Sr, and Ba)
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March 2018 |
Decoherence-induced surface hopping
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December 2012 |
Regarding the validity of the time-dependent Kohn–Sham approach for electron-nuclear dynamics via trajectory surface hopping
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January 2011 |
Ab initio nonadiabatic molecular dynamics of charge carriers in metal halide perovskites
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January 2021 |
Modeling Non-adiabatic Dynamics in Nanoscale and Condensed Matter Systems
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November 2021 |
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 |
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 |
Superoxide/Peroxide Chemistry Extends Charge Carriers’ Lifetime but Undermines Chemical Stability of CH 3 NH 3 PbI 3 Exposed to Oxygen: Time-Domain ab Initio Analysis
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March 2019 |
Charge localization control of electron–hole recombination in multilayer two-dimensional Dion–Jacobson hybrid perovskites
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January 2020 |
Rapid Decoherence Suppresses Charge Recombination in Multi-Layer 2D Halide Perovskites: Time-Domain Ab Initio Analysis
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March 2018 |
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 |
Covalent Functionalized Black Phosphorus Greatly Inhibits Nonradiative Charge Recombination: A Time Domain Ab Initio Study
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December 2019 |
Oxidation Notably Accelerates Nonradiative Electron–Hole Recombination in MoS 2 by Different Mechanisms: Time-Domain Ab Initio Analysis
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April 2020 |
Strain Controls Charge Carrier Lifetimes in Monolayer WSe 2 : Ab Initio Time Domain Analysis
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November 2019 |
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 |
Thermally Assisted Sub-10 fs Electron Transfer in Dye-Sensitized Nanocrystalline TiO2 Solar Cells
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February 2004 |
What Makes the Photocatalytic CO 2 Reduction on N-Doped Ta 2 O 5 Efficient: Insights from Nonadiabatic Molecular Dynamics
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August 2015 |
Water Splitting with a Single-Atom Cu/TiO 2 Photocatalyst: Atomistic Origin of High Efficiency and Proposed Enhancement by Spin Selection
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April 2021 |
Modeling Auger Processes with Nonadiabatic Molecular Dynamics
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December 2020 |
Long-lived modulation of plasmonic absorption by ballistic thermal injection
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November 2020 |
Concentric Approximation for Fast and Accurate Numerical Evaluation of Nonadiabatic Coupling with Projector Augmented-Wave Pseudopotentials
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March 2021 |
Accurate Computation of Nonadiabatic Coupling with Projector Augmented-Wave Pseudopotentials
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November 2020 |
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 |
Projector augmented-wave method
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December 1994 |
Hybrid functionals based on a screened Coulomb potential
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May 2003 |
Special points for Brillouin-zone integrations
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June 1976 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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April 2010 |
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 |
The Raman Spectrum of the CH 3 NH 3 PbI 3 Hybrid Perovskite: Interplay of Theory and Experiment
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December 2013 |
Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskites
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January 2016 |
Oxygen Intercalation Induced by Photocatalysis on the Surface of Hybrid Lead Halide Perovskites
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March 2016 |
Raman spectra of the barium oxide peroxide and strontium oxide peroxide series
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February 1998 |
Coherence penalty functional: A simple method for adding decoherence in Ehrenfest dynamics
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May 2014 |
Evaluation of quantum transition rates from quantum-classical molecular dynamics simulations
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October 1997 |
Relationship between Quantum Decoherence Times and Solvation Dynamics in Condensed Phase Chemical Systems
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December 1998 |
Quantum Zeno Effect Rationalizes the Phonon Bottleneck in Semiconductor Quantum Dots
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May 2013 |
Substitutional alkaline earth metals delay nonradiative charge recombination in CH 3 NH 3 PbI 3 perovskite: A time-domain study
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January 2022 |