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Ionic migration in organo-halide perovskites plays an important role in operation of perovskite based solar cells and light emitting diodes. Despite the ionic migration being a reversible process, it often leads to worsening of perovskite…

Halide perovskites have attracted increasing research attention regarding their outstanding optoelectronic applications. Owing to its low activation energy, ion migration is implicated in the long-term stability and many unusual transport…

Applied Physics · Physics 2020-12-02 Qiao Kong , Amael Obliger , Minliang Lai , Mengyu Gao , David T. Limmer , Peidong Yang

Perovskite-based solar cells are promising due to their rapidly improving efficiencies, but suffer from instability issues. Recently it has been claimed that one of the key contributors to the instability of perovskite solar cells is ion…

Applied Physics · Physics 2019-04-29 Boris Rivkin , Paul Fassl , Qing Sun , Alexander D. Taylor , Zhuoying Chen , Yana Vaynzof

Organic-inorganic hybrid perovskites (OIHPs) exhibiting exceptional photovoltaic and optoelectronic properties are of fundamental and practical interest, owing to their tunability and low manufacturing cost. For practical applications,…

Organic-inorganic semiconductors, which adopt the perovskite crystal structure, have perturbed the landscape of contemporary photovoltaics research. In this Account, we discuss the internal motion of methylammonium lead iodide…

Materials Science · Physics 2016-05-31 Jarvist M. Frost , Aron Walsh

Ionic migration has been proposed as a possible cause of photovoltaic current-voltage hysteresis in hybrid perovskite solar cells. However, a major objection to this hypothesis is that hysteresis can be reduced by changing the interfacial…

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

Solar cells based on organic-inorganic metal halide perovskites show efficiencies close to highly-optimized silicon solar cells. However, ion migration in the perovskite films leads to device degradation and impedes large scale commercial…

Despite the rapid rise in the performance of a variety of perovskite optoelectronic devices with vertical charge transport, the effects of ion migration remain a common and longstanding Achilles heel limiting the long-term operational…

Halide perovskite optoelectronic devices suffer from chemical degradation and current-voltage hysteresis induced by migration of highly mobile charged defects. Atomic scale molecular dynamics simulations can capture the motion of these…

Materials Science · Physics 2025-05-20 Viren Tyagi , Mike Pols , Geert Brocks , Shuxia Tao

With excellent efficiencies being reported from multiple labs across the world, device stability and the degradation mechanisms have emerged as the key aspects that could determine the future prospects of perovskite solar cells. However,…

Applied Physics · Physics 2017-04-24 Vikas Nandal , Pradeep R. Nair

Passivating defects and restricting defect mobilities in halide perovskites to increase device lifetimes has become a main field of research. Modeling structure and mobility of point defects is an essential contribution to this endeavor. We…

Materials Science · Physics 2026-05-07 Viren Tyagi , Geert Brocks , Shuxia Tao

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

Despite their puzzling vibrational characteristics that include strong signatures of anharmonicity and thermal disorder already around room temperature, halide perovskites exhibit favorable optoelectronic properties for applications in…

Materials Science · Physics 2022-02-08 Christian Gehrmann , Sebastián Caicedo-Dávila , Xiangzhou Zhu , David A. Egger

Many recent advances in metal halide perovskite solar cell (PSC) performance are attributed to surface treatments which passivate interfacial trap states, minimise charge recombination and boost photovoltages. Surprisingly, these…

Organic-inorganic halide perovskites recently have emerged as a promising material for highly effective light-emitting diodes (LEDs) and solar cells (SCs). Despite efficiencies of both perovskite SCs and LEDs are already among the best, the…

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

The volume of research into organo-lead hailde perovskites is increasing rapidly, with perovskite solar cell efficiencies reaching as high as 22 percent. There is considerable evidence that mobile ions in the perovskite strongly influence…

Materials Science · Physics 2018-01-15 D. W. Ferdani , A. L. Johnson , S. E. Lewis , P. J. Baker , P. J. Cameron

Metal halide perovskites (MHPs) are nowadays one of the most studied semiconductors due to their exceptional performance as active layers in solar cells. Although MHPs are excellent solid-state semiconductors, they are also ionic compounds,…

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…

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