Beyond Lead Halide Perovskites: Crystal Structure, Bandgaps, Photovoltaic Properties and Future Stance of Lead-Free Halide Double Perovskites

V Kumar, A Kathiravan, MA Jhonsi - Nano Energy, 2024 - Elsevier
Metal halide perovskites are an appealing class of materials for next-generation photovoltaic
applications. The certified power conversion efficiency of lead-perovskite based tandem …

Study of mechanical, optical, and thermoelectric characteristics of Ba2XMoO6 (X = Zn, Cd) double perovskite for energy harvesting

S Al‐Qaisi, H Rached, TA Alrebdi… - Journal of …, 2023 - Wiley Online Library
The double perovskites are become the emerging aspirant to fulfill the demand of energy.
Therefore, the optoelectronic, elastic and transport characteristics of Ba2XMoO6 (X= Zn, Cd) …

First-principles investigations of Na2CuMCl6 (M= Bi, Sb) double perovskite semiconductors: materials for green technology

S Al-Qaisi, M Mushtaq, S Alomairy, TV Vu… - Materials Science in …, 2022 - Elsevier
Investigations of stable lead-free perovskites have ignited an increasing interest in
overcoming lead-based perovskites' instability and toxicity problems. This study thoroughly …

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 …

Potential lead-free small band gap halide double perovskites Cs2CuMCl6 (M = Sb, Bi) for green technology

M Nabi, DC Gupta - Scientific reports, 2021 - nature.com
Explorations of stable lead-free perovskites have currently achieved substantial interest to
overcome the instability and avoid toxicity related issue faced with the lead-based …

Ab initio study of structural, elastic, electronic, optical and thermoelectric properties of cubic Ge-based fluoroperovskites AGeF3 (A= K, Rb and Fr)

S Bouhmaidi, RK Pingak, A Azouaoui, A Harbi… - Solid State …, 2023 - Elsevier
Structural, elastic, electronic, optical and thermoelectric properties of fluoroperovskites AGeF
3 (A= K, Rb, and Fr) have been investigated using Density Functional Theory (DFT) …

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, electronic, optical and thermoelectric response of lead-free double perovskite Rb2TlInX6 (X= Cl, I) for energy storage devices: DFT+ SOC …

MU Din, Q Ain, M Yousaf, J Munir - Materials Science in Semiconductor …, 2022 - Elsevier
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 …

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 …

Physical Properties of Ba2XIO6 (X = Ag, Na) Double Perovskite Oxides for Energy Harvesting Devices

MZ Kazim, M Yaseen, A Ghaffar, IA Bhatti - Arabian Journal for Science …, 2023 - Springer
Herein, we have presented systematic DFT calculations for physical properties of barium-
based periodate double perovskite oxides Ba2AgIO6 and Ba2NaIO6 in cubic phase. Our …