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Point defects, compositional fluctuations, and secondary phases in non-stoichiometric kesterites
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December 2019 |
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Dynamic shortening of disorder potentials in anharmonic halide perovskites
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July 2019 |
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VESTA : a three-dimensional visualization system for electronic and structural analysis
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May 2008 |
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Impact of Na Dynamics at the Cu 2 ZnSn(S,Se) 4 /CdS Interface During Post Low Temperature Treatment of Absorbers
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February 2016 |
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Calculation of the lattice dynamics and Raman spectra of copper zinc tin chalcogenides and comparison to experiments
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April 2012 |
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Mapping temperature-dependent energy–structure–property relationships for solid solutions of inorganic halide perovskites
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January 2020 |
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Effective and Noneffective Recombination Center Defects in Cu 2 ZnSnS 4 : Significant Difference in Carrier Capture Cross Sections
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January 2019 |
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Composition and dimension dependent static and dynamic stabilities of inorganic mixed halide antimony perovskites
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January 2021 |
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Influence of Defects on Excited-State Dynamics in Lead Halide Perovskites: Time-Domain ab Initio Studies
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June 2019 |
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Origin of the low conversion efficiency in Cu 2 ZnSnS 4 kesterite solar cells: the actual role of cation disorder
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January 2021 |
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Photoinduced Dynamics of Charge Carriers in Metal Halide Perovskites from an Atomistic Perspective
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July 2020 |
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Vibrational Response of Methylammonium Lead Iodide: From Cation Dynamics to Phonon-Phonon Interactions
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September 2016 |
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Ultrafast free-carrier dynamics in Cu 2 ZnSnS 4 single crystals studied using femtosecond time-resolved optical spectroscopy
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December 2014 |
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Anharmonicity Extends Carrier Lifetimes in Lead Halide Perovskites at Elevated Temperatures
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September 2019 |
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Anharmonicity Explains Temperature Renormalization Effects of the Band Gap in SrTiO 3
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March 2020 |
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Density Functional Theory and Experimental Determination of Band Gaps and Lattice Parameters in Kesterite Cu 2 ZnSn(S x Se 1– x ) 4
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December 2020 |
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Iodine and Sulfur Vacancy Cooperation Promotes Ultrafast Charge Extraction at MAPbI 3 /MoS 2 Interface
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March 2020 |
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Identifying and Passivating Killer Defects in Pb-Free Double Cs 2 AgBiBr 6 Perovskite
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October 2021 |
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The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems
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October 2013 |
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Analysis for non-radiative recombination and resistance loss in chalcopyrite and kesterite solar cells
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January 2021 |
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Dynamics of Photoexcited Small Polarons in Transition-Metal Oxides
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February 2021 |
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Impact of Urbach energy on open-circuit voltage deficit of thin-film solar cells
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June 2020 |
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A study of energy band gap versus temperature for Cu2ZnSnS4 thin films
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January 2012 |
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Photocarrier dynamics in CIGS, CZTS, and related materials revealed by ultrafast optical spectroscopy: Photocarrier dynamics in CIGS, CZTS, and related materials
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April 2015 |
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Cu2ZnSnS4 solar cells with over 10% power conversion efficiency enabled by heterojunction heat treatment
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July 2018 |
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Atomistic Mechanism of Passivation of Halide Vacancies in Lead Halide Perovskites by Alkali Ions
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February 2021 |
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Electronic properties of energy harvesting Cu-chalcogenides: p–d hybridization and d-electron localization
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October 2015 |
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Perovskite/Silicon Tandem Solar Cells: From Detailed Balance Limit Calculations to Photon Management
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July 2019 |
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Why Hybrid Tin-Based Perovskites Simultaneously Improve the Structural Stability and Charge Carriers’ Lifetime: Ab Initio Quantum Dynamics
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journal
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April 2021 |
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Quantum Anti-Zeno Acceleration of a Chemical Reaction
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November 2000 |
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Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherence Effects, Multiexcitonic States, and Field-Matter Interaction
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January 2014 |
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Anharmonicity measure for materials
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August 2020 |
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Decoherence-induced surface hopping
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December 2012 |
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Anharmonicity and Disorder in the Black Phases of Cesium Lead Iodide Used for Stable Inorganic Perovskite Solar Cells
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journal
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March 2018 |
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Cu-Zn disorder and band gap fluctuations in Cu 2 ZnSn(S,Se) 4 : Theoretical and experimental investigations : Cu-Zn disorder and band gap fluctuations in Cu
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journal
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September 2015 |
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Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells
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March 1961 |
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Size, Ligand, and Defect-Dependent Electron–Phonon Coupling in Chalcogenide and Perovskite Nanocrystals and Its Impact on Luminescence Line Widths
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journal
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April 2020 |
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Absolute energy level positions in tin- and lead-based halide perovskites
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journal
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June 2019 |
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Ab initio nonadiabatic molecular dynamics of charge carriers in metal halide perovskites
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journal
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January 2021 |
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Time-Domain ab Initio Analysis Rationalizes the Unusual Temperature Dependence of Charge Carrier Relaxation in Lead Halide Perovskite
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journal
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October 2018 |
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Quantum Decoherence in Dense Media: A Few Examples
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journal
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April 2020 |
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Bidentate Lewis bases are preferred for passivation of MAPbI3 surfaces: A time-domain ab initio analysis
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journal
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January 2021 |
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First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals
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journal
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April 2018 |
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Temperature-dependent photocarrier recombination dynamics in Cu 2 ZnSnS 4 single crystals
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journal
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February 2014 |
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Cu 2 Zn1- x Cd x Sn(Se1- y S y ) 4 solid solutions as absorber materials for solar cells
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journal
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January 2008 |
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Tail state formation in solar cell materials: First principles analyses of zincblende, chalcopyrite, kesterite, and hybrid perovskite crystals
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August 2018 |
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Ab initiomolecular dynamics for liquid metals
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January 1993 |
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Hybrid functionals based on a screened Coulomb potential
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May 2003 |
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Generalized Gradient Approximation Made Simple
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October 1996 |
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Anti-correlation between Band gap and Carrier Lifetime in Lead Halide Perovskites under Compression Rationalized by Ab Initio Quantum Dynamics
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May 2020 |
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The electrical and optical properties of kesterites
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August 2019 |
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Organometallic Halide Perovskites: Sharp Optical Absorption Edge and Its Relation to Photovoltaic Performance
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journal
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March 2014 |
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Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets
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June 2011 |
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Critical Fluctuations and Anharmonicity in Lead Iodide Perovskites from Molecular Dynamics Supercell Simulations
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September 2017 |
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Effect of temperature on thermal expansion and anharmonicity in Cu2ZnSnS4 thin films grown by co-sputtering and sulfurization
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August 2014 |
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Point defect engineering in thin-film solar cells
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June 2018 |
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Vibrational spectra and lattice thermal conductivity of kesterite-structured Cu 2 ZnSnS 4 and Cu 2 ZnSnSe 4
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journal
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April 2015 |
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Vegard Relation and Raman Band Reference Data Generated from Bulk Crystals of Kesterite-Phase Composition Series Cu 2 ZnSnS 4 x Se 4–4 x (CZTSSe, 0 ≤ x ≤ 1)
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journal
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February 2020 |
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CH3NH3PbX3, ein Pb(II)-System mit kubischer Perowskitstruktur / CH3NH3PbX3, a Pb(II)-System with Cubic Perovskite Structure
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December 1978 |
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Elucidating the Influence of Sulfur Vacancies on Nonradiative Recombination Dynamics in Cu 2 ZnSnS 4 Solar Absorbers
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November 2020 |
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Effects of Electron–Phonon Coupling on Electronic Properties of Methylammonium Lead Iodide Perovskites
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journal
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December 2018 |
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First principles phonon calculations in materials science
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November 2015 |
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A DFT study of pressure-induced phase transitions, structural and electronic properties of Cu 2 ZnSnS 4
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June 2016 |
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Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics
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October 2005 |