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Methylammonium lead iodide (CH3NH3PbI3) perovskite solar cell has produced a remarkable breakthrough in the photovoltaic history of solar cell technology because of its outstanding device based performance as a light-harvesting…

Chemical Physics · Physics 2017-03-31 Arpita Varadwaj , Pradeep R Varadwaj , Koichi Yamashita

Lead-halide perovskites are promising materials for opto-electronic applications. Recent reports indicated that their mechanical and electronic properties are strongly affected by the lattice vibrations. Herein we report far-infrared…

Two-dimensional (2D) layered lead iodide (PbI2) is an important precursor and common residual species during the synthesis of lead-halide perovskites. There currently exist some debates and uncertainties about the effect of excess PbI2 on…

Materials Science · Physics 2022-04-20 Hongfei Chen , Hejin Yan , Yongqing Cai

Defect engineering is applied to hybrid (CH$_3$NH$_3$)PbI$_3$ organic-inorganic perovskites. These materials have become one of the most promising low-cost alternatives to traditional semiconductors in the field of photovoltaics and light…

Organic-inorganic metal halide perovskites have recently attracted increasing attention as highly efficient light harvesting materials for photovoltaic applications. However, the precise control of crystallization and morphology of…

From lithium-ion batteries to high-temperature superconductors, oxide materials have been widely used in electronic devices. However, demands of future technologies require materials beyond oxides, as anion chemistries distinct from oxygen…

Halide pervoskites are an important class of semiconducting materials which hold great promise for optoelectronic applications. In this work we investigate the relationship between vibrational anharmonicity and dynamic disorder in this…

Metal halide perovskites are multifunctional semiconductors with tunable structures and properties. They are highly dynamic crystals with complex octahedral tilting patterns and strongly anharmonic atomic behaviour. In the higher…

Hybrid organic-inorganic halide perovskites have shown remarkable optoelectronic properties (1-3), believed to originate from correlated motion of charge carriers and the polar lattice forming large polarons (4-7). Few experimental…

Inorganic lead halide perovskite materials have attracted great attention recently due to their potential for greater thermal stability compared to hybrid organic perovskites. However, the high processing temperature to convert from the…

Applied Physics · Physics 2018-09-13 Dianyi Liu , Chenchen Yang , Matthew Bates , Richard R. Lunt

The commercialization of perovskite solar cells is hindered by the poor long-term stability of the metal halide perovskite (MHP) light absorbing layer. Solution processing, the common fabrication method for MHPs, produces polycrystalline…

Materials Science · Physics 2026-04-28 Mike Pols , Tobias Hilpert , Ivo Filot , Adri C. T. van Duin , Sofía Calero , Shuxia Tao

Halide vacancies are the dominant point defects in perovskites with VCl identified as a detrimental trap for the optoelectronic performance of CsPbCl3, with applications ranging from photodetectors to solar cells. Understanding these…

Materials Science · Physics 2025-08-22 Irea Mosquera-Lois , Aron Walsh

Perovskite solar cells (PSCs) based on methylammonium lead iodide (MAPbI3) exhibit remarkable photovoltaic performance, where interface engineering with hole transport layers (HTLs) is crucial for optimizing charge transfer and device…

Materials Science · Physics 2025-12-30 Somayyeh Alidoust , V. Ongun Özçelik

Hybrid organic-inorganic perovskites, such as methyl-ammonium lead tri-iodide (MAPbI$_3$), are interesting candidates for efficient absorber materials in next-generation solar cells, partly due to an unusual combination of low exciton…

Materials Science · Physics 2019-10-31 Joshua Leveillee , André Schleife

Photo- and charge-carrier induced ion migration is a major challenge when utilizing metal halide perovskite semiconductors for optoelectronic applications. For mixed iodide/bromide perovskites, the compositional instability due to light- or…

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,…

Metal halide perovskites have shown extraordinary performance in solar energy conversion technologies. They have been classified as "soft semiconductors" due to their flexible corner-sharing octahedral networks and polymorphous nature.…

Materials Science · Physics 2023-09-11 Xia Liang , Johan Klarbring , William Baldwin , Zhenzhu Li , Gábor Csányi , Aron Walsh

The use of methylammonium (MA) lead halide perovskites \ce{CH3NH3PbX3} (X=I, Br, Cl) in perovskite solar cells (PSCs) has made great progress in performance efficiency during recent years. However, the rapid decomposition of \ce{MAPbI3} in…

Halide perovskite (HaP) semiconductors are revolutionizing photovoltaic (PV) solar energy conversion by showing remarkable performance of solar cells made with esp. tetragonal methylammonium lead tri-iodide (MAPbI3). In particular, the low…

The most studied perovskite-based solar cells reported up to date contain the toxic lead in its composition. Photovoltaic research and development towards non-toxic, lead-free perovskite solar cells are critical to finding alternatives to…