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Advances in photovoltaic technology are a viable route to contribute to cleaner and more sustainable energy solutions, placing perovskite-based materials among the best candidates for solar energy conversion. However, some challenges must…

CH3NH3PbI3 perovskite is nowadays amongst the most promising photovoltaic materials for energy conversion. We have studied by ab-initio calculations, using several levels of approximation - namely density functional theory including…

Materials Science · Physics 2017-11-10 Malgorzata Wierzbowska , Juan Jose Melendez , Daniele Varsano

Despite the exceeding 23\% photovoltaic efficiency achieved in organic-inorganic hybrid perovskite solar cells obtaining, the stable materials with desirable band gap are rare and are highly desired. With the aid of first-principles…

Applied Physics · Physics 2020-02-21 Qiaoqiao Li , Liujiang Zhou , Yanfeng Ge , Yulu Ren , Jiangshan Zhao , Wenhui Wan , Kaicheng Zhang , Yong Liu

Excellent conversion efficiencies of over 20 % and facile cell production have placed hybrid perovskites at the forefront of novel solar cell materials with CH3NH3PbI3 being its archetypal compound. The question why CH3NH3PbI3 has such…

Materials Science · Physics 2019-07-16 Joachim Breternitz , Frederike Lehmann , Sarah A. Barnett , Harriott Nowell , Susan Schorr

In pursuit of an all-inorganic non-toxic perovskite solar cell (PSC) with enhanced performance, we have investigated the rhombohedral phase of the germanium-based rubidium halide perovskites RbGeX$_3$ (X = Cl, Br, I). The structural…

Materials Science · Physics 2025-05-15 Piyush Kumar Dash , Palash Banarjee , Anupriya Nyayban , Subhasis Panda

The wide band gap methylammonium lead bromide perovskite is promising for applications in tandem solar cells and light-emitting diodes. Despite its utility, there is only a limited understanding of its reproducibility and stability. Herein,…

We explore the degradation behaviour under continuous illumination and direct oxygen exposure of inverted unencapsulated formamidinium(FA)0.83Cs0.17Pb(I0.8Br0.2)3, CH3NH3PbI3, and CH3NH3PbI3-xClx perovskite solar cells. We continuously test…

Methylammonium lead halide perovskites have been developed as highly promising materials to fabricate efficient solar cells in the past few years. The real impact to energy applications relies on the understanding and controlling of the…

Materials Science · Physics 2016-04-20 Congcong Wang , Youzhen Li , Xuemei Xu , Chenggong Wang , Fangyan Xie , Yongli Gao

Halide perovskite solar cells based on CH3NH3PbI3 and related materials have emerged as the most exciting development in the next generation photovoltaic technologies, yet the microscopic phenomena involving photo-carriers, ionic defects,…

Materials Science · Physics 2017-10-17 Jiangyu Li , Boyuan Huang , Ehsan Nasr Esfahani , Linlin Wei , Jianjun Yao , Jinjin Zhao , Wei Chen

Recently, replacing or mixing organic molecules in the hybrid halide perovskites with the inorganic Cs or Rb cations has been reported to increase the material stability with the comparable solar cell performance. In this work, we…

Materials Science · Physics 2018-09-19 Un-Gi Jong , Chol-Jun Yu , Yun-Sim Kim , Yun-Hyok Kye , Chol-Ho Kim

The outstanding photovoltaic performances of lead halide perovskite (LHP) thin film solar cells are due in particular to the large diffusion length of photocarriers. The mechanism behind this property and its dependence on the various…

There are recent investigations regarding tandem solar cells with a top perovskite cell and a bottom silicon one with a potential of > 25% power conversion efficiency. Because of still high production costs of silicon cells it is believed…

Materials Science · Physics 2016-01-27 Hans Hermann Otto

Quaternary mixed-metal M(II)2M(III)Ch2X3 chalcohalides are an emerging material class for photovoltaic absorbers that combines the beneficial optoelectronic properties of lead-based halide perovskites with the stability of metal…

Materials Science · Physics 2025-11-20 Pascal Henkel , Jingrui Li , Patrick Rinke

Halide perovskites are highly promising light-harvesting materials with strong ionic character, enabling in principle the combination of a solar cell and a Li-ion battery in one integrated photo-battery device. Here, we investigate Li ions…

Materials Science · Physics 2024-03-05 Wei Wei , Julian Gebhardt , Daniel F. Urban , Christian Elsässer

This paper presents a first step toward a pragmatic phenomenological multiscale approach to evaluate perovskite solar cell performance which determines material properties at the atomistic scale with first-principles calculations, and…

Materials Science · Physics 2026-01-08 Ph Baranek , J P Connolly , A Gissler , Ph Schulz , M Rérat , R Dovesi

Methylammonium lead tribromide perovskite (CH3NH3PbBr3, or MAPbBr3) as a photovoltaic material has attracted a great deal of recent interest. Factors that are important in their application in optoelectronic devices include their fractional…

Materials Science · Physics 2018-04-24 Arpita Varadwaj , Pradeep R. Varadwaj , Helder M. Marques , Koichi Yamashita

Stability and toxicity issues with the hybrid lead iodide perovskite MAPbI$_3$ necessitate a hunt for potential alternatives. Here, we shed light on promising photovoltaic properties of gold mixed-valence halide perovskites…

Materials Science · Physics 2020-01-07 Jiban Kangsabanik , Supriti Ghorui , M. Aslam , Aftab Alam

It is unmistakably paradoxical that the weakest point of the photoactive organic-inorganic hybrid perovskite is its instability against light. Why and how perovskites break down under light irradiation and what happens at the atomistic…

Materials Science · Physics 2017-09-14 Kwisung Kwak , Eunhak Lim , Namyoung Ahn , Jiyoung Heo , Kijoon Bang , Seong Keun Kim , Mansoo Choi

Photoelectric conversion efficiency of organic-inorganic perovskite solar cells has been rapidly raised and attracted great attention in recent years. The quality of perovskite films is vital for the performance of devices. We used the…

Applied Physics · Physics 2018-10-05 Hao Zhang , Yalan Wang , Hong Wang , Meryang Ma , Shuai Dong , Qingyu Xu

The ability to extract material parameters of perovskite from quantitative experimental analysis is essential for rational design of photovoltaic and optoelectronic applications. However, the difficulty of this analysis increases…