First-principles investigations of the mechanically and thermodynamically stable potassium-based double perovskites K2TlAsX6 (X= Cl, Br) for optoelectronic and …

J Munir, I Mursaleen, HM Ghaithan, Q ul Ain… - Materials Science and …, 2023 - Elsevier
Double perovskites with their significance properties are considered to be promising
candidates for an extensive range of applications. Current research work includes the …

Lead-free double perovskites: a review of the structural, optoelectronic, mechanical, and thermoelectric properties derived from first-principles calculations, and …

DO Obada, SB Akinpelu, SA Abolade, E Okafor… - Crystals, 2024 - mdpi.com
Metal halide perovskite materials have shown significant advancements in their application
as light absorbers in perovskite solar cells, with power conversion efficiencies reaching …

Density functional theory screening of some fundamental physical properties of Cs2InSbCl6 and Cs2InBiCl6 double perovskites

S Alnujaim, A Bouhemadou, M Chegaar… - The European Physical …, 2022 - Springer
Following recent computational discovery of the Cs2InSbCl6 and Cs2InBiCl6 compounds,
density functional theory screening of their fundamental physical properties is warranted to …

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 …

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 Investigation of a new Double Perovskites of Rb2CuSbZ6 (Z = F, Br, and I) for Sustainable Technologies

S Al-Qaisi, N Iram, A Boutramine, AK Alqorashi… - Journal of Inorganic and …, 2024 - Springer
The present investigation thoroughly evaluates the structural, optoelectronic, elastic, and
transport properties of Rb2CuSbZ6 (where Z= F, Br, and I). The assessment includes the …

Recent progress of lead-free halide double perovskites for green energy and other applications

M Sk - Applied Physics A, 2022 - Springer
In recent years, the metal halide perovskites (MHPs) have gained substantial interest due to
their versatile applications in the field of the solar cell, Field-Effect Transistor (FET), and Light …

Tuning of band gap by variation of halide ions in K2CuSbX6 (X= Cl, Br, I) for solar cells and thermoelectric applications

S Al-Qaisi, Q Mahmood, NA Kattan, S Alhassan… - Journal of Physics and …, 2023 - Elsevier
The double perovskites have obtained remarkable attention in the field of solar cells and
renewable energy applications. Here in present article, the optical and transport properties …

A computational approach to correlate the physical attributes of lead-free Rb2XRhF6 (X= Li, Ag) double perovskite halides for optoelectronics and renewable energy …

SMH Qaid, H Murtaza, Q ul Ain, HM Ghaithan… - Physica B: Condensed …, 2023 - Elsevier
The potential of perovskite halides revolutionized the field of optoelectronics and energy
conversion. In the present work, the physical characteristics of Rb 2 XRhF 6 (X= Li, Ag) have …

Insight into the structural, optoelectronic, elastic and thermodynamic properties of new lead free double halides perovskites Cs2XCuF6 (X= Sc, Y): a first principle …

N Rahman, M Husain, V Tirth, A Algahtani… - Physica …, 2023 - iopscience.iop.org
We conducted a thorough investigation of Cs 2 XCuF 6 (X= Sc, Y) using a first-principles
approach, exploring a wide range of material properties. We began by confirming the …