Effect of bandgap tunability on the physical attributes of potassium-based K2CuBiX6 (X= I, Br, Cl) double perovskites for green technologies
Potassium-based perovskites hold significant potential to revolutionize renewable
technology by enabling more cost-effective and sustainable energy devices. The DFT …
technology by enabling more cost-effective and sustainable energy devices. The DFT …
Opto‐electronic and thermophysical characteristics of A2TlAgF6 (A = Rb, Cs) for green technology applications
S Al‐Qaisi, N Iram, S Samah… - Journal of …, 2024 - Wiley Online Library
Lead‐free double perovskites are unique materials for transport and optoelectronic
applications that use clean resources to generate energy. Using first‐principle computations …
applications that use clean resources to generate energy. Using first‐principle computations …
DFT-based (HSE06) investigation of band gap engineering: Optoelectronic, mechanical and thermodynamic insights in Cs2AgBiY6 (YBr, I) for photovoltaic …
The study investigates the properties of double perovskites Cs 2 AgBiBr 6 and Cs 2 AgBiI 6,
focusing on their structural, mechanical, dynamic, thermodynamic, and optic properties …
focusing on their structural, mechanical, dynamic, thermodynamic, and optic properties …
First-principles investigation of Cs2TlGaX6 (X = Cl, F) double perovskites: structural and dynamical stability, elastic properties, and optoelectronic characteristics …
N Rahman, M Husain, Y Ahmad… - Optical and Quantum …, 2024 - Springer
Due to their stability, eco-friendly nature, lack of lead, and high performance, double
perovskites are promising materials for solar cells, thermoelectric generators, and …
perovskites are promising materials for solar cells, thermoelectric generators, and …
Exploring novel Ba2MBiO6 (M= Sm, Tb) oxide double perovskites employing DFT
N Sfina, N Rahman, S Belhachi, M Husain… - Journal of Inorganic and …, 2024 - Springer
In the present work, we investigate the structural, elastic, optical, and electronic properties of
Ba 2 MBiO 6 (M= Sm, Tb) oxide double perovskites, using Density Functional Theory within …
Ba 2 MBiO 6 (M= Sm, Tb) oxide double perovskites, using Density Functional Theory within …
Tailoring the structural, elastic, electronic, and optical properties of Cs2ScCuX6 (X= Cl and F) double perovskite compounds via density functional theory (DFT)
Double perovskite (DP) structures have attracted considerable interest because of their
possible utilization in optoelectronic and thermoelectric equipment. This study employs the …
possible utilization in optoelectronic and thermoelectric equipment. This study employs the …
First-principles prediction of antimony based XSbF3 (X= Be, Mg, Ca and Sr) fluoroperovskites: An insight into structural, optoelectronic and thermal properties
First-principles computations have been carried out to explore the structural, optoelectronic
and thermodynamic characteristics of antimony-based fluoroperovskites XSbF 3 (X= Be, Mg …
and thermodynamic characteristics of antimony-based fluoroperovskites XSbF 3 (X= Be, Mg …
Tuning the physical properties of inorganic novel perovskite materials Ca3PX3 (X= I, Br and Cl): Density function theory
In photovoltaic technology, inorganic perovskite solar cells formed from halide have
developed into a noteworthy prospect, primarily attributable to their exceptional efficiency …
developed into a noteworthy prospect, primarily attributable to their exceptional efficiency …
DFT analysis of elastic and optoelectronic properties of Cs2NaXCl6 (X= In, La, Sc, Y) double perovskite compounds
This study employs first-principles Density Functional Theory (DFT) to investigate the
structural, electronic, and optical properties of double perovskites Cs 2 NaXCl 6 (X= In, La …
structural, electronic, and optical properties of double perovskites Cs 2 NaXCl 6 (X= In, La …
Insight into the physical properties of lead-free Chloroperovskites GaXCl3 (X = Be, Ca) compounds: probed by DFT
This research employs the FP-LAPW approach within density functional theory to investigate
the structural, optical, electronic, and elastic features of GaXCl3 (X= Be, Ca) …
the structural, optical, electronic, and elastic features of GaXCl3 (X= Be, Ca) …