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Hitting hard on the binary halides yields in the formation of Cs2[AgIn]Br6. The lead-free double perovskite marks, although not usable itself, a further step forward in finding sustainable and durable perovskite materials for photovoltaic…

Although new photovoltaic materials, such as organic perovskites, have attracted much attention recently,\cite{perov1,perov2,perov3} zinc-blende semiconductors still play an important role, owing to their high efficiency and stability in…

Materials Science · Physics 2016-12-13 Wang Ze-Lian , Xie Wen-Hui , Zhao Yong-Hong

Quaternary mixed-metal chalcohalides (Sn$_2$BCh$_2$X$_3$) are emerging as promising lead-free perovskite-inspired photovoltaic absorbers. Motivated by recent developments of a first Sn$_2$BCh$_2$X$_3$-based device, we used density…

Materials Science · Physics 2023-09-28 Pascal Henkel , Jingrui Li , G. Krishnamurthy Grandhi , Paola Vivo , Patrick Rinke

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

Metal halide perovskite solar cells have achieved dramatic improvements in their power conversion efficiency in the recent past. Since compositional engineering plays an important role in optimizing material properties, we investigate the…

BaZrS3, a prototypical chalcogenide perovskite, has been shown to possess a direct band gap, an exceptionally strong near band edge light absorption, and good carrier transport. Coupled with its great stability, non-toxicity with earth…

Exploring the conduction mechanism in the chalcogenide perovskite BaZrS$_3$ is of significant interest due to its potential suitability as a top absorber layer in silicon-based tandem solar cells and other optoelectronic applications.…

Capacitance measurements as a function of voltage, frequency and temperature are useful tools to identify fundamental parameters that affect solar cell operation. Techniques such as capacitance-voltage (CV), Mott-Schottky analysis and…

Applied Physics · Physics 2021-12-23 Sandheep Ravishankar , Zhifa Liu , Uwe Rau , Thomas Kirchartz

BaZrS3 is a chalcogenide perovskite that has shown promise as a photovoltaic absorber, but its performance is limited because of defects and impurities that have a direct influence on carrier concentrations. Functional dopants that show…

Cu based ternary chalcogenides are gathering attention for sustainable energy applications due to their reduced complexity compared to quaternary alternatives. We used drift diffusion modeling to evaluate the feasibility of photovoltaics…

Materials Science · Physics 2026-05-12 Saptarshi Mandal , Surbhi Ramawat , Sumit Kukreti , Ambesh Dixit

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

Lead-free tin-based perovskites are highly appealing for the next generation of solar cells due to their intriguing optoelectronic properties. However, the tendency of Sn2+ oxidation to Sn4+ in the tin-based perovskites induces serious film…

Chemical Physics · Physics 2022-06-15 Hejin Yan , Bowen Wang , Xuefei Yan , Qiye Guan , Hongfei Chen , Zheng Shu , Dawei Wen , Yongqing Cai

Halide perovskites are currently under intense investigation due to their potential applications in optoelectronics and solar cells. Among them several crystallize in low symmetry lattice structures like trigonal, hexagonal, orthorhombic…

Materials Science · Physics 2017-11-15 A. Koliogiorgos , S. Baskoutas , I. Galanakis

Since perovskite solar cells have attracted a lot of attentions over the past years, the enhancement of their optical absorption and current density are among the basic coming challenges. For this reason, first, we have studied structural…

With the consideration of photon recycling effect, the efficiency limit of methylammonium lead iodide (CH3NH3PbI3) perovskite solar cells is predicted by a detailed balance model. To obtain convincing predictions, both AM 1.5 spectrum of…

Materials Science · Physics 2015-07-01 Wei E. I. Sha , Xingang Ren , Luzhou Chen , Wallace C. H. Choy

Hybrid Lead halide perovskites, despite having unique intrinsic properties with the possibility of flexible synthesis and device fabrication, still suffer from two fundamental issues, i.e. stability in external environment and toxicity due…

Materials Science · Physics 2018-05-16 Jiban Kangsabanik , Vipinraj Sugathan , Anuradha Yadav , Aswani Yella , Aftab Alam

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…

Numerical simulation of a solar cell can provide various information that can be useful to maximize its power conversion efficiency (PCE). In that respect we carried out a set of numerical simulation using AFORS-HET simulation program.…

Optics · Physics 2024-05-13 S. M. Iftiquar , J. Yi

Despite the tremendous interest in halide perovskites in solar cells, the reason that the all-inorganic perovskite CsPbI$_3$ is unstable at room temperature remains mysterious. Here single-crystal X-ray diffraction and powder pair…

Materials Science · Physics 2020-07-08 Daniel B. Straus , Shu Guo , Milinda Abeykoon , Robert J. Cava

In the past few years, the meteoric development of hybrid organic--inorganic perovskite solar cells (PSC) astonished the community. The efficiency has already reached the level needed for commercialization; however, the instability hinders…

Materials Science · Physics 2016-04-26 Fedwa El-Mellouhi , El Tayeb Bentria , Sergey N Rashkeev , Sabre Kais , Fahhad H Alharbi