Future Insights into Double Perovskites Ba2AlTMO6 (TM = W, Re, and Os) for Sustainable and Clean Energy Production: A DFT Investigation Using GGA, TB-mBJ, and HSE06 Methods
Journal of Inorganic and Organometallic Polymers and Materials,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 13, 2025
Язык: Английский
First-principles calculations to investigate electronic, optical, mechanical and thermoelectric properties of lead-free halide double perovskites Na2InBiX6 (X = cl, Br and I) for optoelectronic and thermoelectric applications
Computational and Theoretical Chemistry,
Год журнала:
2025,
Номер
unknown, С. 115107 - 115107
Опубликована: Янв. 1, 2025
Язык: Английский
The Structural, Electronic, Elastic, and Optical Properties of New Double Perovskite Cs2CdPbI6 were Investigated Using a DFT and SCAPS-1D Simulation
Journal of Inorganic and Organometallic Polymers and Materials,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 9, 2025
Язык: Английский
Structural, Mechanical, Electronic, Optical, and Thermoelectric Properties of Sr2XUO6 (X = Cr, Dy): A First Principles Investigation for Photovoltaic Uses
Journal of Physics and Chemistry of Solids,
Год журнала:
2025,
Номер
unknown, С. 112770 - 112770
Опубликована: Апрель 1, 2025
Язык: Английский
Probing the Physical Attributes of Double Perovskites X2MoSeO6 (X = Na, Li) Through Advanced Computational Methods
Journal of Inorganic and Organometallic Polymers and Materials,
Год журнала:
2025,
Номер
unknown
Опубликована: Май 2, 2025
Язык: Английский
First-principle’s calculations to investigate structural, electronic, mechanical, optical, and thermoelectric properties of halide double perovskites K2InScX6 (X = Cl, Br, and I) for thermoelectric and optoelectronic applications
Computational and Theoretical Chemistry,
Год журнала:
2024,
Номер
1242, С. 114970 - 114970
Опубликована: Ноя. 5, 2024
Язык: Английский