Investigation of heavy thallium perovskites TlGeX3 (X= Cl, Br and I) for optoelectronic and thermoelectric applications: A DFT study

S Bouhmaidi, MB Uddin, RK **ak, S Ahmad… - Materials Today …, 2023 - Elsevier
The present investigation aims to explore the structural, electronic, elastic, optical and
thermoelectric properties of germanium-based heavy thallium halide perovskites TlGeX 3 …

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 …

The study optical, thermoelectric, and thermodynamic properties of double perovskites K2CuBiX6 (X= Cl, Br, I) for energy harvesting

H Albalawi, SA Rouf, T Zelai, NA Kattan… - Materials Science and …, 2023 - Elsevier
The double perovskites are promising aspirants for renewable energy applications. In
present article, optoelectronic, thermoelectric, and thermodynamic characteristics are …

A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A 2 YAuI 6 (A= Rb, Cs) for solar cell and renewable energy …

A Nazir, A Dixit, EA Khera, M Manzoor, R Sharma… - Materials …, 2024 - pubs.rsc.org
Double-perovskite halides are potentially useful materials for producing renewable energy
and are thought to meet the necessary criteria for addressing energy scarcity issues …

Tuning of the electronic bandgap of lead-free double perovskites K2AgBiX6 (X= Cl, Br) for solar cells applications and their thermoelectric characteristics

MW Iqbal, M Manzoor, NA Noor, I Rehman… - Solar Energy, 2022 - Elsevier
Lead-free double-perovskites (DPs) K 2 AgBiX 6 (X= Cl, Br) has been executed as well as
examined by ab-initio computations for solar cell energy sources. Improved and latest Becke …

Effect of bandgap tunability on the physical attributes of potassium-based K2CuBiX6 (X= I, Br, Cl) double perovskites for green technologies

H Murtaza, Q Ain, J Munir, HM Ghaithan… - Inorganic Chemistry …, 2024 - Elsevier
Potassium-based perovskites hold significant potential to revolutionize renewable
technology by enabling more cost-effective and sustainable energy devices. The DFT …

[HTML][HTML] Analysis of direct band gap A2ScInI6 (A= Rb, Cs) double perovskite halides using DFT approach for renewable energy devices

NA Noor, MW Iqbal, T Zelai, A Mahmood… - Journal of materials …, 2021 - Elsevier
Double perovskite halides are probable renewable energy generation materials that are
believed to fulfill the requirements for solving energy scarcity problems. Therefore …

DFT exploration of elastic, optoelectronic, and thermoelectric properties of stable and eco-friendly double perovskites Cs2YAuX6 (X= Cl, Br) for green energy …

A Ayyaz, G Murtaza, M Naeem, A Usman… - Journal of Physics and …, 2024 - Elsevier
In the current investigation, we have implemented first-principles calculations to examine the
structural, elastic, electrical, and optical characteristics of Cs 2 YAuX 6 (X= Cl, Br). The …

DFT insights on the opto-electronic and thermoelectric properties of double perovskites K2AgSbX6 (X= Cl, Br) via halides substitutions for solar cell applications

MW Iqbal, M Manzoor, S Gouadria, M Asghar… - Materials Science and …, 2023 - Elsevier
The structural, mechanical, electrical, optical, and thermoelectric characteristics of double
perovskites crystal structure with# 225 Fm3m space were studied using the Full Potential …