Lead-free double perovskites: a review of the structural, optoelectronic, mechanical, and thermoelectric properties derived from first-principles calculations, and …
Metal halide perovskite materials have shown significant advancements in their application
as light absorbers in perovskite solar cells, with power conversion efficiencies reaching …
as light absorbers in perovskite solar cells, with power conversion efficiencies reaching …
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 …
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 …
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 …
Exploring the half-metallic ferromagnetism, dynamical and mechanical stability, optoelectronic and thermoelectric properties of K2NaMI6 (M = Mn, Co, Ni) for …
D Abdullah, DC Gupta - Scientific Reports, 2023 - nature.com
The structural stability, optoelectronic and magnetic characteristics of K2NaMI6 (M= Mn, Co,
and Ni) halide double perovskites have been demonstrated to be explained using density …
and Ni) halide double perovskites have been demonstrated to be explained using density …
Structural, elastic, electronic, optical and thermoelectric response of lead-free double perovskite Rb2TlInX6 (X= Cl, I) for energy storage devices: DFT+ SOC …
Abstract Double perovskites Rb 2 TlInX 6 (X= Cl, I) have been simulated with the help of
density functional theory to determine their structural, elastic, electronic, optical and thermal …
density functional theory to determine their structural, elastic, electronic, optical and thermal …
Theoretical insight of stabilities and optoelectronic properties of double perovskite Cs2CuIrF6: Ab-initio calculations
Context In this study, we predict the stability, elastic, electronic and optical properties of
double perovskite (DP) Cs2CuIrF6. The detailed investigation of electronic structure and …
double perovskite (DP) Cs2CuIrF6. The detailed investigation of electronic structure and …
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 …
Physical characteristics of X2NaMoBr6 (X= K, Rb): a DFT study
The full-potential linearized-augmented plane-wave (FP-LAPW) method based on density
functional theory (DFT) was used to investigate the structural, elastic, electronic, optical …
functional theory (DFT) was used to investigate the structural, elastic, electronic, optical …
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 …