DFT Insight into Structural, Electronic, Optical and Thermoelectric Properties of Eco-Friendly Double Perovskites Rb2GeSnX6 (X = Cl, Br) for Green Energy …

MA Ali, AA Alothman, M Mushab, A Khan… - Journal of Inorganic and …, 2023 - Springer
Halide double perovskites in the form of A2BIBIIIX6 present a rich compositional space that
holds promise for discovering novel materials possessing intriguing properties applicable in …

First-principles calculations to investigate optoelectronic, thermoelectric and elastic properties of novel lead-free halide perovskites CsRbPtX6 (X= Cl, Br and I) …

A Harbi, S Bouhmaidi, RK Pingak, L Setti… - Physica B: Condensed …, 2023 - Elsevier
The tunability and stability of halide perovskites have made them promising for a large
number of applications. In this study, the optoelectronic and thermoelectric properties of …

Halide Perovskites' Multifunctional Properties: Coordination Engineering, Coordination Chemistry, Electronic Interactions and Energy Applications beyond …

TA Berhe, WN Su, BJ Hwang - Inorganics, 2024 - mdpi.com
Halide perovskite materials have gained enormous attention for their semiconducting
properties, higher power conversion efficiency and potential applications in a wide range of …

First-Principles Calculations of Novel Lead-Free X2GeSnI6 (X = Rb, Cs) Double Perovskite Compounds for Optoelectronic and Energy Exploitations

MA Ali, M Musa Saad H.-E, AM Tighezza… - Journal of Inorganic and …, 2024 - Springer
We investigate the structural, optoelectronic, and thermoelectric properties of halide double
perovskite X2GeSnI6 (X= Rb, Cs) compounds employing the full potential linearized …

First-principles calculations to investigate lead-free double perovskites CsInSbAgX6 (X= Cl, Br and I) for optoelectronic and thermoelectric applications

S Bouhmaidi, A Harbi, RK Pingak, A Azouaoui… - Computational and …, 2023 - Elsevier
In this study, novel lead-free double perovskites CsInSbAgX 6 (X= Cl, Br and I) are proposed
and theoretically investigated for the first time for their potential application in optoelectronic …

Structural, elastic, optoelectronic, and transport properties of Na-based halide double perovskites Na2CuMX6 (M = Sb, Bi, and X = Cl, Br) as renewable energy …

A Ayyaz, G Murtaza, M Umer, A Usman… - Journal of Materials …, 2023 - Springer
The structural, elastic, optoelectronic, and transport properties of the double perovskites
Na2CuMX6 (M= Sb, Bi, and X= Cl, Br) were investigated through the utilization of the DFT …

The study of new double perovskites K2AgAsX6 (X = Cl, Br) for energy-based applications

MA Ali, RA Alshgari, AA Awadh Bahajjaj… - Journal of Taibah …, 2023 - Taylor & Francis
Halide double perovskites are the best alternative to Pb-halide perovskites. These materials
play an important role in renewable energy generation. Therefore, we explore the physical …

Theoretical investigations of double perovskites Rb2YCuX6 (X= Cl, F) for green energy applications: DFT study

N Rahman, M Husain, A Azzouz-Rached… - Journal of Physics and …, 2024 - Elsevier
Double perovskites, which have remarkable performance, great stability, environmental
friendliness, and are Pb-free, are emerging materials for solar cells and thermoelectric …

Lead-free perovskites InSnX3 (X= Cl, Br, I) for solar cell applications: a DFT study on the mechanical, optoelectronic, and thermoelectric properties

RK Pingak, A Harbi, M Moutaabbid… - Materials Research …, 2023 - iopscience.iop.org
This study aims to explore for the first time the mechanical, electronic, optical and
thermoelectric properties of cubic lead-free perovskites InSnBr 3 and InSnI 3 to investigate …

First-principles calculations to investigate structural, electronic, magnetic, mechanical and thermodynamic properties of Half-Heusler alloy CoMnTe: Using GGA and …

Y Toual, S Mouchou, A Azouaoui, A Harbi… - Materials Chemistry and …, 2023 - Elsevier
In this paper, we study the structural, electronic, magnetic, mechanical and thermal
properties of Half-Heusler CoMnTe, using the Density Functional Theory (DFT) with the …