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Related papers: Multiscale Models For Perovskite Optimisation

200 papers

Despite significant advances in lead-free perovskite photovoltaics, achieving a balance among environmental safety and high optoelectronic performance remains challenging. The inorganic double perovskite Cs2AgBiBr6 has emerged as a…

Materials Science · Physics 2026-02-18 Md Shanian Moed , Adnan Amin Siddiquee , Md Tashfiq Bin Kashem

Recent research on perovskite solar cells has caught much attention for the application in renewable energy materials. However, the effect of external dopants on the performance of perovskite solar cell is yet to be understood properly.…

Materials Science · Physics 2024-01-18 Chongyao Yang , Wei Wu , Kwang-Leong Choy

Halide perovskites have been extensively studied as materials of interest for optoelectronic applications. There is a major emphasis on ways to tailor the stability, defect behavior, electronic band structure, and optical absorption in…

Materials Science · Physics 2023-09-29 Jiaqi Yang , Arun Mannodi-Kanakkithodi

Optoelectronics based on metal halide perovskites (MHPs) have shown substantial promise, following more than a decade of research. For prime routes of commercialization such as tandem solar cells, optical modeling is essential for…

Applied Physics · Physics 2023-05-24 Christopher G. Bailey , Giacomo M. Piana , Pavlos G. Lagoudakis

We report that device architecture engineering has a substantial impact on the reverse bias instability that has been reported as a critical issue in commercializing perovskite solar cells. We demonstrate breakdown voltages exceeding -15 V…

Cesium based halide perovskites, such as CsPbI3 and CsSnI3, have emerged as exceptional candidates for next generation photovoltaic and optoelectronic technologies, but their practical application is limited by temperature dependent phase…

Materials Science · Physics 2025-10-30 Atefe Ebrahimi , Franco Pellegrini , Stefano De Gironcoli

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

Low stability of organic-inorganic perovskite (CH3NH3PbI3) solar cells in humid air environments is a serious drawback which could limit practical application of this material severely. In this study, from real-time spectroscopic…

Metal halide perovskite solar cells have gained widespread attention due to their high efficiency and high defect tolerance. The absorbing perovskite layer is as a mixed electron-ion conductor that supports high rates of ion and charge…

Determining the finite temperature structure of the hybrid perovskite MAPbI3 is a challenge for both experimental and theoretical methods. A very powerful computational method that can resolve the atomic structure is molecular dynamics…

Materials Science · Physics 2018-07-25 Jonathan Lahnsteiner , Georg Kresse , Jurn Heinen , Menno Bokdam

We investigate the impact of various levels of approximation in density functional theory calculations for the structural and binding properties of the prototypical halide perovskite MAPbI$_3$. Specifically, we test how the inclusion of…

Materials Science · Physics 2019-03-04 Hubert Beck , Christian Gehrmann , David A. Egger

The high performance of hybrid perovskite based devices is attributed to its excellent bulk-transport properties. However, carrier dynamics, especially at the metal-perovskite interface, and its influence on device operation are not widely…

Materials Science · Physics 2022-02-25 N. Ganesh , A. Z. Ashar , Sumukh Purohit , K. L. Narasimhan , K. S. Narayan

Point defects in metal halide perovskites play a critical role in determining their properties and optoelectronic performance; however, many open questions remain unanswered. In this work, we apply impedance spectroscopy and deep-level…

Applied Physics · Physics 2020-12-01 Sebastian Reichert , Qingzhi An , Young-Won Woo , Aron Walsh , Yana Vaynzof , Carsten Deibel

The performance of perovskite solar cells recently exceeded 15% solar-to-electricity conversion efficiency for small-area devices. The fundamental properties of the active absorber layers, hybrid organic-inorganic perovskites formed from…

Materials Science · Physics 2013-10-11 Federico Brivio , Alison B. Walker , Aron Walsh

Organic-inorganic perovskite solar cells have attracted tremendous attention because of their remarkably high power conversion efficiencies (PCEs). To further improve the device performance, however, it is imperative to obtain fundamental…

Materials Science · Physics 2018-02-07 Zhaodong Chu , Mengjin Yang , Philip Schulz , Di Wu , Xin Ma , Edward Seifert , Liuyang Sun , Kai Zhu , Xiaoqin Li , Keji Lai

Two-dimensional (2D) halide perovskites (HPs) are promising materials for various optoelectronic applications, yet a comprehensive understanding of their dynamics is still elusive. Here, we offer insight into the dynamics of prototypical 2D…

Materials Science · Physics 2024-08-15 Erik Fransson , Julia Wiktor , Paul Erhart

Tuning the work functions of materials is of practical interest for maximizing the performance of microelectronic and (photo)electrochemical devices, as the efficiency of these systems depends on the ability to control electronic levels at…

Materials Science · Physics 2021-04-07 Yihuang Xiong , Weinan Chen , Wenbo Guo , Hua Wei , Ismaila Dabo

Owing to the increasing popularity of lead-based hybrid perovskites for photovoltaic (PV) applications, it is crucial to understand their defect physics and its influence on their optoelectronic properties. In this work, we simulate various…

Applied Physics · Physics 2019-08-16 Arun Mannodi-Kanakkithodi , Ji-Sang Park , Alex B. F. Martinson , Maria K. Y. Chan

With the rapid advancement of photovoltaic science, there has been an increasing focus on the development of environment-friendly and structurally advanced perovskite solar cells (PSCs). In this context, this study investigates an…

Materials Science · Physics 2025-08-20 Md. Meraz Hasan , Pallab Chakraborty , Fahim Tanvir , Subah Tahsin , Mostafizur Rahaman

Inorganic-organic perovskites semiconductors are becoming increasingly interesting due to their remarkable optical properties, such as a high photoluminescence quantum yield and the possibility to show optical gain in a broad range of…

Optics · Physics 2021-03-30 Michele Bellingeri , Francesco Scotognella