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Tuning the Optical, Electronic, and Mechanical Properties of Inorganic Ca3pcl3 Perovskite Through the Biaxial Strain

https://doi.org/10.2139/ssrn.4530668
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Nanocube Superlattices of Cesium Lead Bromide Perovskites and Pressure‐Induced Phase Transformations at Atomic and Mesoscale Levels
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Recent progress of two‐dimensional lead halide perovskite single crystals: Crystal growth, physical properties, and device applications
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The determination of the momentum matrix elements involved in calculating the dielectric constants of superlattices using the tight-binding method
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Stable and efficient full-printable solar cells using inorganic metal oxide framework and inorganic perovskites
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Tuning electronic and optical properties of CsPbI3 by applying strain: A first-principles theoretical study
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Tuning Charge Carrier Types, Superior Mobility and Absorption in Lead-free Perovskite CH3NH3GeI3: Theoretical Study
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Band gap engineering in halide cubic perovskites CsPbBr3−yIy (y = 0, 1, 2, 3) – A DFT study
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Tuning the electronic, phonon, and optical properties of monolayer BX (X P and As) through the strain effect
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Organic−inorganic hybrid perovskites: Game-changing candidates for solar fuel production
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The viability of solar photovoltaics
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Photovoltaic Performance Investigation of Cs 3 Bi 2 I 9 -Based Perovskite Solar Cells with Various Charge Transport Channels Using DFT and SCAPS-1D Frameworks
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The Effect of Stoichiometry on the Stability of Inorganic Cesium Lead Mixed-Halide Perovskites Solar Cells
inferredcites →https://doi.org/10.1021/acs.jpclett.0c00174openalex-extracted
Size-Dependent Pressure-Response of the Photoluminescence of CsPbBr 3 Nanocrystals
inferredcites →https://doi.org/10.1021/acs.jpclett.7b01067openalex-extracted
Unveiling the Crystal Formation of Cesium Lead Mixed-Halide Perovskites for Efficient and Stable Solar Cells
inferredcites →https://doi.org/10.1021/acsami.0c03044openalex-extracted
Transferable High-Quality Inorganic Perovskites for Optoelectronic Devices by Weak Interaction Heteroepitaxy
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Deep Insights into the Coupled Optoelectronic and Photovoltaic Analysis of Lead-Free CsSnI3 Perovskite-Based Solar Cell Using DFT Calculations and SCAPS-1D Simulations
inferredcites →https://doi.org/10.1021/acsomega.3c01534openalex-extracted
First-Principles Calculations to Investigate the Stability and Thermodynamic Properties of a Newly Exposed Lithium–Gallium–Iridium-Based Full-Heusler Compound
inferredcites →https://doi.org/10.1021/ja809598ropenalex-extracted
Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
inferredcites →https://doi.org/10.1021/jacs.7b01162openalex-extracted
Pressure-Induced Metallization of the Halide Perovskite (CH3NH3)PbI3
inferredcites →https://doi.org/10.1021/nl5036397openalex-extracted
Pressure-Dependent Optical and Vibrational Properties of Monolayer Molybdenum Disulfide
inferredcites →https://doi.org/10.1038/ncomms11193openalex-extracted
Giant photostriction in organic–inorganic lead halide perovskites
inferredcites →https://doi.org/10.1038/ncomms4731openalex-extracted
Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide
inferredcites →https://doi.org/10.1038/s41565-020-0765-7openalex-extracted
2D metal–organic framework for stable perovskite solar cells with minimized lead leakage
inferredcites →https://doi.org/10.1038/s41566-019-0398-2openalex-extracted
Surface passivation of perovskite film for efficient solar cells
inferredcites →https://doi.org/10.1038/s41598-017-13172-yopenalex-extracted
Towards lead-free perovskite photovoltaics and optoelectronics by ab-initio simulations
inferredcites →https://doi.org/10.1039/c8cp01338aopenalex-extracted
Pressure-induced strong ferroelectric polarization in tetra-phase perovskite CsPbBr 3
inferredcites →https://doi.org/10.1063/1.1979470openalex-extracted
Kramers–Kronig constrained variational analysis of optical spectra
inferredcites →https://doi.org/10.1063/5.0005082openalex-extracted
Q uantum ESPRESSO toward the exascale
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Narrowing bandgap and enhanced mechanical and optoelectronic properties of perovskite halides: Effects of metal doping
inferredcites →https://doi.org/10.1073/pnas.1609030113openalex-extracted
Simultaneous band-gap narrowing and carrier-lifetime prolongation of organic–inorganic trihalide perovskites
inferredcites →https://doi.org/10.1088/0034-4885/61/3/002openalex-extracted
The GW method
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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
inferredcites →https://doi.org/10.1088/1361-648x/aa8f79openalex-extracted
Advanced capabilities for materials modelling with Q uantum ESPRESSO
inferredcites →https://doi.org/10.1088/1361-648x/abb9bbopenalex-extracted
Correlation of elastic and optoelectronic properties near structural phase transition in organic–inorganic lead iodide perovskite single crystals
inferredcites →https://doi.org/10.1088/1361-6528/aba140openalex-extracted
Improved photoemission and stability of 2D organic-inorganic lead iodide perovskite films by polymer passivation
inferredcites →https://doi.org/10.1088/1402-4896/accb13openalex-extracted
Highly efficient SnS-based inverted planar heterojunction solar cell with ZnO ETL
inferredcites →https://doi.org/10.1088/2515-7655/abff18openalex-extracted
Roadmap on inorganic perovskites for energy applications
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-extracted
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.28.1809openalex-extracted
Beyond the local-density approximation in calculations of ground-state electronic properties
inferredcites →https://doi.org/10.1103/physrevb.74.073101openalex-extracted
Spin-orbit splittings and energy band gaps calculated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
inferredcites →https://doi.org/10.1103/physrevb.97.085130openalex-extracted
Hybrid functional pseudopotentials
inferredcites →https://doi.org/10.1103/physrevlett.43.1494openalex-extracted
Norm-Conserving Pseudopotentials
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-extracted
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/revmodphys.44.602openalex-extracted
Aspects of Time-Dependent Perturbation Theory
inferredcites →https://doi.org/10.48550/arxiv.0906.2569openalex-extracted
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Formation enthalpies by mixing GGA and GGA + U calculations
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