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648 积分 2024-11-29 加入
The Effects of Pressure on Tetragonal RbPbBr 3 Perovskite for Photovoltaic Applications: A Computational Study
10天前
已完结
Pressure-dependent elastic anisotropy and acoustic wave propagation in halogenated cubic perovskites
11天前
已完结
Ab Initio Study of the Structural, Electronic, Optical, Transport, and Elastic Properties of Lithium-based Double Perovskites Li2InSbX6 (X = Cl, Br) for Green Energy Harvesting
13天前
已完结
Tuning Electronic and Optical Properties of InBeX3 (X = F, Cl, Br, I) Perovskites Through Halide Substitution: A First-Principles Study
13天前
已完结
Comprehensive First-Principles Study of Structural, Thermoelectric, Magnetic, Optical, and Thermodynamic Properties of Antiperovskite CaCNi$$_3$$ for Energy and Spintronic Applications
14天前
已完结
Lead-Free Halide Perovskites KSiI3 and RbSiI3: First-Principles Insights into Structural Stability, Optoelectronic Properties, and Photocatalytic Water-Splitting Potential
14天前
已完结
Optoelectronic, mechanical and hydrogen storage characteristics modification via H-insertion in CaLiF3 perovskite framework: DFT perspective
18天前
已完结
Robust ferromagnetism and pressure-driven mechanical and optoelectronic properties of the Sr2NiMoO6 double perovskite: a first-principles study
18天前
已完结
Vacancy defects and hydrogen doping to improve the thermodynamic and electronic properties of perovskite MgGeH3: A DFT study
18天前
已完结
First principles study of defect-induced electronic properties across temperature-dependent phases of BaTiO₃
18天前
已完结