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Two-dimensional lead halide perovskites are promising materials for optoelectronics due to the tunability of their properties with the number of lead halide layers and the choice of an organic spacer. Physical understanding for the rational…

Low-dimensional metal halide perovskites provide exciting opportunities to fabricate new semiconductor materials. Semiconductor technology relies on electronic heterojunctions, and cost-efficient and flexible approaches to realize…

The significant surge in energy use and escalating environmental concerns have sparked worldwide interest towards the study and implementation of solar cell technology. Perovskite solar cells (PSCs) have garnered remarkable attention as an…

Materials Science · Physics 2025-06-23 Md Yekra Rahman , Sharif Mohammad Mominuzzaman

The discovery of double perovskites A2B(I)B(III)X6 (A=monovalent cation; B(I)/B(III) = metal cation; X = halogen) as Pb(II)-free alternatives has attracted widespread attention, making it possible to introduce d-block metal cations (e.g.,…

Materials Science · Physics 2019-10-15 Gang Tang , Zewen Xiao , Jiawang Hong

Halide double perovskites are an interesting alternative to Pb-containing counterparts as active materials in optoelectronic devices. Low-dimensional double perovskites are fabricated by introducing large organic cations, resulting in…

Lead-free halide double perovskites are promising alternatives to Pb-based semiconductors, but their discovery is challenging because structural formability, thermodynamic stability, band-gap placement, optical-transition strength,…

Two-dimensional (2D) halide perovskites are emerging as promising candidates for nano-electronics and optoelectronics. To realize their full potential, it is important to understand the role of those defects that can strongly impact…

Materials Science · Physics 2016-05-10 Yuanyue Liu , Hai Xiao , William A. Goddard

Double perovskite halides are emerging as promising materials for a wide range of applications, particularly in renewable energy technologies such as solar cell devices, thereby contributing to addressing global energy demands. In this…

Materials Science · Physics 2026-04-10 Huda A. Alburaih , Sikander Azam , N. A. Noor , A. Laref , Sohail Mumtaz

Owing to the energy shortages and various severe adverse effects of traditional fossil fuel power generation mechanisms, photovoltaic and thermoelectric materials are considered as the potential candidates for building non-traditional,…

Materials Science · Physics 2022-08-09 Syed Zuhair Abbas Shah , Shanawer Niaz , Tabassum Nasir , James Sifuna

Hybrid organic-inorganic halide perovskites with the prototype material of CH$_{3}$NH$_{3}$PbI$_{3}$ have recently attracted intense interest as low-cost and high-performance photovoltaic absorbers. Despite the high power conversion…

Materials Science · Physics 2017-05-30 Xin-Gang Zhao , Ji-Hui Yang , Yuhao Fu , Dongwen Yang , Qiaoling Xu , Liping Yu , Su-Huai Wei , Lijun Zhang

The search for non-toxic lead-free halide perovskites that can compete with the lead-based counterparts has led to the emergence of double perovskites as potential candidates. Among many options, Cs2AgBiBr6 stands out as one of the most…

Materials Science · Physics 2025-10-30 Pannan I. Kyesmen , Eugen Klein , Brindhu Malani S , Rostyslav Lesyuk , Christian Klinke

Halide double perovskites have recently been proposed as potential environmentally friendly alternatives to organic group and lead based hybrid halide perovskites. In particular, Cs2BiAgX6 have been synthesized and found to exhibit tunable…

Applied Physics · Physics 2019-05-03 Yunting Liang

Low-dimensional organic-inorganic perovskites synergize the virtues of two unique classes of materials featuring intriguing possibilities for next-generation optoelectronics: they offer tailorable building blocks for atomically thin,…

Organic-inorganic hybrid halide perovskites have ignited tremendous interests for photovoltaic applications. However, their nonlinear optical response has not been studied although many of these structures lack the centrosymmetry and…

Materials Science · Physics 2020-02-14 Wenshen Song , Guang-Yu Guo , Su Huang , Lan Yang , Li Yang

The long-term chemical instability and the presence of toxic Pb in otherwise stellar solar absorber APbX$_{3}$ have hindered their large-scale commercialization. Previously explored ways to achieve Pb-free halide perovskites involved…

Materials Science · Physics 2017-05-29 Xin-Gang Zhao , Dongwen Yang , Yuanhui Sun , Tianshu Li , Lijun Zhang , Liping Yu , Alex Zunger

In a search for Lead-free materials that could be used as alternatives to the hybrid perovskites,(MA)PbX3, in photovoltaic applications, we have discovered a hybrid double perovskite, (MA)2KBiCl6, which shows striking similarities to the…

Lead-free halide double perovskites A$_{2}$M(I)M(III)X$_{6}$ have garnered significant attention in the past decade as promising alternatives to CsPbX$_{3}$ perovskites, addressing concerns related to lead toxicity and material instability.…

Materials Science · Physics 2025-11-26 Surajit Adhikari , Priya Johari

Lead-free perovskite materials have emerged as key players in optoelectronics, showcasing exceptional optical and electronic properties, alongside being environmentally friendly and non-toxic elements. Recently, among studied perovskite…

Materials Science · Physics 2024-11-14 Surajit Adhikari , Ayan Chakravorty , Priya Johari

We have performed a comprehensive, first-principles high-throughput study of the magnetic properties of halide double perovskites, $Cs_2BB^\prime Cl_6$, with magnetic ions occupying one or both B and B$^\prime$ sites. Our findings indicate…

Materials Science · Physics 2023-06-16 Utkarsh Singh , Johan Klarbring , Igor A. Abrikosov , Sergei I. Simak

The lead-free double perovskite material (viz. Cs$_2$AgBiCl$_6$) has emerged as an efficient and environmentally friendly alternative to lead halide perovskites. To make Cs$_2$AgBiCl$_6$ optically active in the visible region of solar…

Materials Science · Physics 2021-06-07 Deepika Gill , Preeti Bhumla , Manish Kumar , Saswata Bhattacharya