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Related papers: ML-guided screening of chalcogenide perovskites as…

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Chalcogenide perovskites are an emerging class of photovoltaic absorbers offering stable, lead-free structures and promising optoelectronic properties. To date, the literature on chalcogenide perovskites has focused primarily on fully…

Materials Science · Physics 2026-04-09 Ruiqi Wu , JJ Acton , Shirui Wang , Alex Ganose

Lead-free chalcogenide perovskites are emerging as game-changers in the race for sustainable, high-performance photovoltaics. These materials offer a perfect trifecta: non-toxic elemental composition, exceptional phase stability, and…

Materials Science · Physics 2025-09-19 Surajit Adhikari , Priya Johari

The investigation of emerging non-toxic perovskite materials has been undertaken to advance the fabrication of environmentally sustainable lead-free perovskite solar cells. This study introduces a machine learning methodology aimed at…

Two critical limitations of organic-inorganic lead halide perovskite materials for solar cells are their poor stability in humid environments and inclusion of toxic lead. In this study, high-throughput density functional theory (DFT)…

Materials Science · Physics 2019-04-12 Ryan Jacobs , Guangfu Luo , Dane Morgan

Chalcogenide perovskites have received considerable interest in photovoltaic research community owing to their stability (thermal and aqueous), non-toxicity and lead free composition. However, to date a theoretical study mainly focusing on…

Materials Science · Physics 2022-07-13 Pooja Basera , Saswata Bhattacharya

Solar energy is anticipated to be the most viable source of sustainable green energy. Perovskites have gained significant research attention in recent years as a solar energy harvesting material due to their desirable photovoltaic enabling…

Materials Science · Physics 2019-10-10 Richa Pandey , Gaurav Vats , Jae Yun , Chris R Bowen , Anita W. Y. Ho-Baillie , Jan Seidel

Hybrid peroskite solar cells are newly emergent high-performance photovoltaic devices, which suffer from disadvantages such as toxic elements, short-term stabilities, and so on. Searching for alternative perovskites with high photovoltaic…

Materials Science · Physics 2023-08-02 Linkang Zhan , Danfeng Ye , Xinjian Qiu , Yan Cen

Perovskite solar cells are promising candidates for next-generation photovoltaics. However, their performance as multi-scale devices is determined by complex interactions between their constituent layers. This creates a vast combinatorial…

Machine Learning · Computer Science 2025-11-25 Lucas Li , Jean-Baptiste Puel , Florence Carton , Dounya Barrit , Jhony H. Giraldo

The material class of hybrid organic-inorganic perovskites has risen rapidly from a virtually unknown material in photovoltaic applications a short 7 years ago into a ~20% efficient thin-film solar cell material. As promising as this class…

Materials Science · Physics 2017-05-29 Dongwen Yang , Jian Lv , Xingang Zhao , Qiaoling Xu , Yuhao Fu , Yiqiang Zhan , Alex Zunger , Lijun Zhang

Renewable energy sources are of great interest to combat global warming, yet promising sources like photovoltaic (PV) cells are not efficient and cheap enough to act as an alternative to traditional energy sources. Perovskite has high…

Among emerging energy materials, halide and chalcogenide perovskites have garnered significant attention over the last decade owing to the abundance of their constituent species, low manufacturing costs, and their highly tunable…

Materials Science · Physics 2025-11-11 Rushik Desai , Junyeong Ahn , Alejandro Strachan , Arun Mannodi-Kanakkithodi

Transition metal perovskite chalcogenides (TMPCs) are explored as stable, environmentally friendly semiconductors for solar energy conversion. They can be viewed as the inorganic alternatives to hybrid halide perovskites, and chalcogenide…

Perovskite solar cells (PSCs) are attracting great attention as the most promising candidate for the next generation solar cells. This is due to their low cost and high power conversion efficiency in spite of their relatively short period…

Applied Physics · Physics 2018-11-05 Chol-Jun Yu

Chalcogenide perovskites have emerged as non-toxic and stable photovoltaic materials, acting as an alternative to lead halide hybrid perovskites having similar optoelectronic properties. In the present work, we report the electronic and…

Materials Science · Physics 2021-06-03 Manish Kumar , Arunima Singh , Deepika Gill , Saswata Bhattacharya

Halide perovskites exhibit unpredictable properties in response to environmental stressors, due to several composition-dependent degradation mechanisms. In this work, we apply data visualization and machine learning (ML) techniques to…

Solution-processed, lead halide-based perovskite solar cells have overcome important challenges over the recent years, offering low-cost and high solar power conversion efficiencies. However, they still undergo unoptimized light collection…

The growing demand for photovoltaic (PV) technologies that are lightweight, flexible, and seamlessly integrated into diverse applications has propelled interest in thin-film solar cells. Among these, Cu(In,Ga)(S,Se)2 (CIGS) and metal halide…

Hybrid organic-inorganic halide perovskites have emerged as a disruptive new class of materials, exhibiting optimum properties for a broad range of optoelectronic applications, most notably for photovoltaics. The first report of highly…

Materials Science · Physics 2018-08-21 Marina R. Filip , George Volonakis , Feliciano Giustino

We developed a high-throughput screening scheme to acquire candidate coating materials for hybrid perovskites. From more than 1.8 million entries of an inorganic compound database, we collected 93 binary and ternary materials with promising…

Applied Physics · Physics 2019-03-05 Azimatu Seidu , Lauri Himanen , Jingrui Li , Patrick Rinke

In this work, we propose a method of selecting the most desirable combinations of material for a perovskite solar cell design utilizing the genetic algorithm. Solar cells based on the methylammonium lead halide, CH3NH3PbX3, attract…

Materials Science · Physics 2020-11-17 Eungkyun Kim , Indranil Bhattacharya
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