Lead-free all-inorganic halide double perovskite materials for optoelectronic applications: progress, performance and design

T Zuo, F Qi, CY Yam, L Meng - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
The certified power conversion efficiency of perovskite solar cells is gradually approaching
that of crystalline silicon solar cells. Accordingly, considering the advantages of improved …

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-principle investigations on optoelectronics and thermoelectric properties of lead-free Rb2InSbX6 (X = Cl, Br) double perovskites: for renewable energy …

D Behera, B Mohammed, S Taieb, B Mokhtar… - The European Physical …, 2023 - Springer
In the current study, we analyzed the structural, mechanical, optoelectronics as well as
transport characteristics of double perovskite Rb2InSbX6 (X= Cl, Br) employing the FP …

Lead-free double perovskites Rb2TlSbX6 (X= Cl, Br, and I) as an emerging aspirant for solar cells and green energy applications

A Ayyaz, S Saidi, ND Alkhaldi, G Murtaza, N Sfina… - Solar Energy, 2024 - Elsevier
This study utilized the WIEN2k simulation program to examine the structural, mechanical,
thermodynamic, optoelectronic, and thermoelectric characteristics of lead-free double …

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 …

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 **ak, 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 **ak, 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 …

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 …

Optoelectronics and Transport Phenomena in Rb2InBiX6 (X = Cl, Br) Compounds for Renewable Energy Applications: A DFT Insight

D Behera, SK Mukherjee - Chemistry, 2022 - mdpi.com
In this study, we used the FP-LAPW technique based on density functional theory applied in
WIEN2k code to examine the structural, electronic, elastic, and thermoelectric properties of …

[HTML][HTML] Study of lead-free double perovskites X2AgBiI6 (X= K, Rb, Cs) for solar cells and thermoelectric applications

Q Mahmood, T Zelai, M Hassan, G Nazir… - Journal of Materials …, 2023 - Elsevier
The double perovskites became appealing over time for solar cells and optoelectronic
applications due to their extraordinary optical and transport properties. Here, we investigate …