Lead‐Free Halide Perovskite Materials and Optoelectronic Devices: Progress and Prospective

I López‐Fernández, D Valli, CY Wang… - Advanced Functional …, 2024 - Wiley Online Library
Halide perovskites, in the form of thin films and colloidal nanocrystals, have recently taken
semiconductor optoelectronics research by storm, and have emerged as promising …

Stereochemical expression of ns2 electron pairs in metal halide perovskites

Y Fu, S **, XY Zhu - Nature Reviews Chemistry, 2021 - nature.com
Metal halide perovskites (MHPs) are characterized as strongly anharmonic and dynamic
lattices. While there is a consensus on the solvation-like polarization effect in these …

Thermoelectric properties of A2BCl6: a first principles study

S Berri - Journal of Physics and Chemistry of Solids, 2022 - Elsevier
Structural parameters, electronic band structures and thermoelectric properties of A 2 BCl 6
(A= Cs, K and B= Se, Sn, Ta, Te, Ti, W, Zr, Mn, Mo, Os, Pd, Pt, Re, Ru, Tc, W) materials at …

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 …

Hybrid and Inorganic Vacancy-Ordered Double Perovskites A2WCl6

EE Morgan, GT Kent, A Zohar, A O'Dea… - Chemistry of …, 2023 - ACS Publications
We report hybrid and all-inorganic, vacancy-ordered double perovskites of d2 W4+ with the
formula A2WCl6 (A= CH 3 NH 3+, Rb+, and Cs+). These compounds, which are reddish in …

First principles insight on mechanical stability, optical and thermoelectric response of novel lead-free Rb2ScCuBr6 and Cs2ScCuBr6 double perovskites

A Ayyaz, G Murtaza, A Usman, M Umer… - Materials Science in …, 2024 - Elsevier
In this article, the structural properties, mechanical stability as well as electronic, optical, and
thermoelectric response of novel lead-free Rb 2 ScCuBr 6 and Cs 2 ScCuBr 6 double …

Study of optical and thermoelectric properties of double perovskites Cs2KTlX6 (X= Cl, Br, I) for solar cell and energy harvesting

H Albalawi, GM Mustafa, S Saba, NA Kattan… - Materials Today …, 2022 - Elsevier
The double perovskites have emerging optical properties and extensively studied solar cells
and renewable energy. In this work, we have investigated the optical, electronic and …

Computational screening of Cs based vacancy‐ordered double perovskites for solar cell and photocatalysis applications

X Ye, A Liu, L Gao, C Zhang, L Yan, S Wen, T Ma - EcoMat, 2023 - Wiley Online Library
The toxicity of lead ions in halide perovskite absorbing materials is the main bottleneck for
practical application. To replace the traditional lead halide perovskites by environmental …

Structural, electronic, magnetic and thermoelectric properties of Tl2NbX6 (X = Cl, Br) variant perovskites calculated via density functional theory

MA Ali, AAA Bahajjaj, S Al‐Qaisi… - Journal of …, 2023 - Wiley Online Library
This article presents detailed structural, electronic, magnetic, and thermoelectric properties
of two experimentally existing isostructural variant perovskite compounds Tl2NbX6 (X= Cl …

Supramolecular assembly of halide perovskite building blocks

C Zhu, J **, M Gao, AM Oddo… - Journal of the …, 2022 - ACS Publications
The structural diversity and tunable optoelectronic properties of halide perovskites originate
from the rich chemistry of the metal halide ionic octahedron [MX6] n−(M= Pb2+, Sb3+, Te4+ …