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CH 3 NH 3 SnBr x I 3-x (x = 0-3), ein Sn(II)-System mit kubischer Perowskitstruktur / CH 3 NH 3 SnBr x I 3-x (x = 0-3), a Sn(II)-System with Cubic Perovskite Structure
First principle investigation of essential physical properties of stable Lead-free double perovskites Cs2AgAuX6 (X = cl, Br) for green energy applications
First-principles and AIMD study of structural, magnetic, and optoelectronic properties of vacancy-ordered double perovskites Ag2BCl6 (B = Tc, Re) for advanced spintronic and optoelectronic applications
Hydrostatic pressure-induced transformations and multifunctional properties of Francium-based halide perovskite FrCaCl3: Insights from first-principles calculations
Exploring the inorganic perovskite materials Mg3SbX3 (Where, X=I, Br, Cl and F) through the perspective of density functional theory: Adjustment of physical characteristics as consequence of strain
Exploring the structural, elastic, electronic, optical properties and thermoelectric properties of Na2XGaF6 (X = In, or Tl) double perovskite: DFT study
Structural, electronic, mechanical, optical and thermoelectric properties of double perovskites A2CuAlCl6 (A=Cs, Rb, K) with direct bandgap using DFT study
A first-principles investigation of lead-free novel direct band gap double perovskite oxides X 2 AlBiO 6 (X = Mg, Ca, Ba) for implementation in optoelectronic and thermoelectric technologies
A first principles insight of non-toxic lead-free inorganic halides KInX3 (X=F, Cl, Br and I) for visible-light photocatalytic water splitting application
Structural behaviors, optical properties and electronic structures of rare earth samarium doped germanium anion nanocluster SmGe− (n = 4–20): A density functional theory investigation
Machine learning and first-principles study of non-lead-halogen Cs2NaB’Cl6 (B’= In, Cr, Y, Tb) double halide perovskites with optoelectronic properties
The density function theory analysis of the inorganic perovskite materials Mg3AsX3 (X=I, Br, Cl, and F): Alteration of the physical properties by strain effect
A comprehensive analysis of the structural, phonon, electronic, mechanical, optical, and thermophysical properties of cubic Ca3SbX3 (X = Cl, Br): DFT - GGA and mBJ studies
Investigating the structural, electronic, optical, and mechanical properties of the novel perovskite Mg3NX3 (X = F, Cl, Br, I) to harness solar brilliance
A comprehensive investigation of the Sr 3 AsX 3 (X = F/Cl/Br) inorganic cubic perovskites’ strain-induced structural, electronic, optical, and mechanical properties with solar cell applications
Stability, photovoltaic, and optoelectronic properties of eco-friendly $$CsGeCl_{3-n}F_n$$ halide perovskite for solar cells applications: insights from DFT calculations
Estrutura cristalina simultânea em filmes finos de YMnO3 depositado pelo método de solução química
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