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First-Principles Study on the Stability and Degradation of the Lead-Free Double Perovskite Materials Cs2b'Bicl6 (B' = Li, Na, K) Under Natural Environment

https://doi.org/10.2139/ssrn.4669093
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Chemical Origin of the Stability Difference between Copper(I)‐ and Silver(I)‐Based Halide Double Perovskites
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Chemical Origin of the Stability Difference between Copper(I)‐ and Silver(I)‐Based Halide Double Perovskites
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Absolute Potassium Cation Affinities (PCAs) in the Gas Phase
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Interfaces in Perovskite Solar Cells
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Review of Novel Passivation Techniques for Efficient and Stable Perovskite Solar Cells
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Die Gesetze der Krystallochemie
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Lead-Free Halide Double Perovskite Materials: A New Superstar Toward Green and Stable Optoelectronic Applications
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Ab initio molecular dynamics for liquid metals
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Infrared and Raman spectra of the elpasolites Cs2NaSbCl6 and Cs2NaBiCl6: Evidence for a pseudo Jahn-Teller distorted ground state
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Phase transitions in a Cs2−xK1+xBiCl6 solid solution
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Structural, elastic, electronic and optical properties of double perovskites Ba2NaXO6 (X = Cl, Br, I): First-principles study
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First principles insight on mechanical stability, optical and thermoelectric response of novel lead-free Rb2ScCuBr6 and Cs2ScCuBr6 double perovskites
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Theoretical investigation of the structural stability, electronic and optical properties of the double perovskite Cs2ZrX6 (X=Cl, Br, I)
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Direct band-gap iodide double perovskite solar cell materials by doping strategy: First-principles predictions
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Stability of perovskite solar cells
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Bismuth-Based Halide Double Perovskite Cs2LiBiCl6: Crystal Structure, Luminescence, and Stability
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Chemical and Electronic Structure Characterization of Lead Halide Perovskites and Stability Behavior under Different Exposures—A Photoelectron Spectroscopy Investigation
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Origin of the Thermal Instability in CH 3 NH 3 PbI 3 Thin Films Deposited on ZnO
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Ab Initio Molecular Dynamics Simulations of Methylammonium Lead Iodide Perovskite Degradation by Water
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Influence of Rb/Cs Cation-Exchange on Inorganic Sn Halide Perovskites: From Chemical Structure to Physical Properties
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Cs 2 NaBiCl 6 :Mn 2+ —A New Orange-Red Halide Double Perovskite Phosphor
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Interfacial Charge Transfer Anisotropy in Polycrystalline Lead Iodide Perovskite Films
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Kelvin Probe Force Microscopic Imaging of the Energy Barrier and Energetically Favorable Offset of Interfaces in Double-Junction Organic Solar Cells
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Organometal Halide Perovskite Solar Cell Materials Rationalized: Ultrafast Charge Generation, High and Microsecond-Long Balanced Mobilities, and Slow Recombination
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Transformation of the Excited State and Photovoltaic Efficiency of CH3NH3PbI3 Perovskite upon Controlled Exposure to Humidified Air
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Intrinsic Instability of Cs2In(I)M(III)X6 (M = Bi, Sb; X = Halogen) Double Perovskites: A Combined Density Functional Theory and Experimental Study
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Chemical Management for Colorful, Efficient, and Stable Inorganic–Organic Hybrid Nanostructured Solar Cells
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Sequential deposition as a route to high-performance perovskite-sensitized solar cells
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Charge-carrier dynamics in vapour-deposited films of the organolead halide perovskite CH 3 NH 3 PbI 3−x Cl x
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Review of recent progress in chemical stability of perovskite solar cells
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Solvent engineering towards controlled grain growth in perovskite planar heterojunction solar cells
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Reduced surface defects of organometallic perovskite by thermal annealing for highly efficient perovskite solar cells
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Degradation observations of encapsulated planar CH 3 NH 3 PbI 3 perovskite solar cells at high temperatures and humidity
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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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Projector augmented-wave method
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Ab initiocalculations of the SrTiO3 (110) polar surface
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Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1107/s0567740872002948openalex-extracted
Crystal structure of Cs2NaBiCl6
inferredcites →https://doi.org/10.1126/sciadv.aav0693openalex-extracted
New tolerance factor to predict the stability of perovskite oxides and halides
inferredcites →https://doi.org/10.1126/science.1228604openalex-extracted
Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites
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Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH 3 NH 3 PbI 3
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Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber
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