First-principles investigations of the mechanically and thermodynamically stable potassium-based double perovskites K2TlAsX6 (X= Cl, Br) for optoelectronic and …
Double perovskites with their significance properties are considered to be promising
candidates for an extensive range of applications. Current research work includes the …
candidates for an extensive range of applications. Current research work includes the …
Scrutinize the physical attributes of thermodynamically and elastically stable double perovskite oxides Ba2CdXO6 (X= Mo, U) for optoelectronics, photocatalytic and …
Perovskite oxides offer a rich playground for researchers due to their versatile properties,
which make them valuable in diverse applications. We studied the stable phases of Ba 2 …
which make them valuable in diverse applications. We studied the stable phases of Ba 2 …
Exploring the optoelectronic attributes, thermoelectric and photocatalytic potential of double perovskites Cs2BB'H6 (B= Al, Na and B'= Tl, In): A DFT study
Abstract Double perovskites Cs 2 BB'H 6 (B= Al, Na and B'= Tl, In) have been scrutinized by
employing density functional theory to calculate their electronic structures, thermodynamic …
employing density functional theory to calculate their electronic structures, thermodynamic …
First-principles investigations on the structural, optoelectronic, mechanical and transport properties of new stable lead-free double perovskites Cs2BB′ I6 (B= Ag/Rb …
Lead-free perovskite halides offer a promising alternative due to the successful replacement
of lead-based perovskites in various applications. Density functional theory simulations have …
of lead-based perovskites in various applications. Density functional theory simulations have …
Scrutinized the spin-orbit coupling effect on the elastically and thermodynamically stable Rb2BCl6 (B= Pb, Ti) double perovskites for photocatalytic, optoelectronic and …
In this report, the electronic structure, mechanical stability, optoelectronic, thermoelectric and
photocatalytic response of inorganic halide perovskites Rb 2 BCl 6 (B= Pb, Ti) have been …
photocatalytic response of inorganic halide perovskites Rb 2 BCl 6 (B= Pb, Ti) have been …
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 …
Optoelectronic and thermoelectric properties of novel stable lead-free cubic double perovskites A 2 NaIO 6 (A= Ca, Sr) for renewable energy applications
MA Ali, AA Alothman, M Mushab… - Physical Chemistry …, 2024 - pubs.rsc.org
Over the past decade, perovskites have received considerable attention because of their
record power conversion efficiency (25.7%) in solar cells. These materials have also …
record power conversion efficiency (25.7%) in solar cells. These materials have also …
A computational insight into Rb2ASbX6 (A= Tl, Cu & X= I, Cl) double perovskites for energy storage and optoelectronic applications
Double perovskites are considered to be outstanding materials for encountering the energy
crises faced by the world community. This article comprehensively addresses the electronic …
crises faced by the world community. This article comprehensively addresses the electronic …
Spin-polarized analysis of the magneto-electronic, mechanical and optical response of double perovskites Cs2XCeI6 (X= Li, Na): A DFT study
Magnetic double perovskites have garnered significant interest due to their unique magnetic
properties and are promising candidates for various spintronic applications. Spin-polarized …
properties and are promising candidates for various spintronic applications. Spin-polarized …
Electronic structure, optical and thermal response of lead-free RbAuBr3 and RbAuBr4 perovskites for renewable energy applications
The presence of toxic lead in the perovskites is the major hurdle in commercializing these
novel materials-based devices. The first principles calculations have been conducted to …
novel materials-based devices. The first principles calculations have been conducted to …