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First-Principles Investigation of the Electronic, Optical, and Mechanical Properties of Cs₄GeSn₂Cl₁₂

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Challenges, recent advances and improvements for enhancing the efficiencies of ABX3-based PeLEDs (perovskites light emitting diodes): A review
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A review on perovskite solar cells (PSCs), materials and applications
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First principles phonon calculations in materials science
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Optical, Electronic, and Magnetic Engineering of ⟨111⟩ Layered Halide Perovskites
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Air-Stable Direct Bandgap Perovskite Semiconductors: All-Inorganic Tin-Based Heteroleptic Halides AxSnClyIz (A = Cs, Rb)
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Chemical Diversity in Lead-Free, Layered Double Perovskites: A Combined Experimental and Computational Approach
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Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals
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Parity-Forbidden Transitions and Their Impact on the Optical Absorption Properties of Lead-Free Metal Halide Perovskites and Double Perovskites
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Material Design and Optoelectronic Properties of Three-Dimensional Quadruple Perovskite Halides
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Designing Two-Dimensional Properties in Three-Dimensional Halide Perovskites via Orbital Engineering
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Lead-Free Cs 4 CuSb 2 Cl 12 Layered Double Perovskite Nanocrystals
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A Direct Bandgap Copper–Antimony Halide Perovskite
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Hybrid Dion–Jacobson 2D Lead Iodide Perovskites
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Stabilizing Au2+ in a mixed-valence 3D halide perovskite
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Polymorph exploration of bismuth stannate using first-principles phonon mode mapping
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Alloying multiple halide perovskites on the same sublattice in search of stability and target band gaps
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Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
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Synchronized B-site alloying for high-efficiency inorganic tin–lead perovskite solar cells
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XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals
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Optical Transitions in Hybrid Perovskite Solar Cells: Ellipsometry, Density Functional Theory, and Quantum Efficiency Analyses for CH 3 NH 3 PbI 3
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Projector augmented-wave method
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Variational density-functional perturbation theory for dielectrics and lattice dynamics
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Generalized Gradient Approximation Made Simple
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