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Related papers: Tracing Ion Migration in Halide Perovskites with M…

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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

Ion migration in perovskite solar cells is usually analyzed and understood in terms of charge neutrality condition. However, several recent reports indicate possibility of ionic imbalance in the active layer due to external ion migration…

Materials Science · Physics 2023-01-27 Dhyana Sivadas , Abhimanyu Singareddy , Chittiboina vinod , Pradeep Nair

In this work, we compare existing non-polarizable force fields developed to study the solid or solution phases of hybrid organic-inorganic halide perovskites with the AMOEBA polarizable force field. The aim is to test whether more…

Materials Science · Physics 2024-03-14 P. V. G. M. Rathnayake , Stefano Bernardi , Asaph Widmer-Cooper

The presence of mobile ions in perovskites is well known to influence the device electrostatics leading to a wide variety of anomalous characteristics related to hysteresis, efficiency degradation, low frequency capacitance, large signal…

Materials Science · Physics 2024-06-19 Saketh Tirupati , Abhimanyu Singareddy , Dhyana Sivadas , Pradeep R. Nair

Electric fields arising from the distribution of charge in metal halide perovskite solar cells are critical for understanding the many weird and wonderful optoelectronic properties displayed by these devices. Mobile ionic defects are…

A key challenge for the practical application of metal halide perovskites (MHPs) is the instability of the desired perovskite phase relative to the optically non-active $\delta$ phase. To determine the phase stability, we previously…

Perovskite solar cells (PSCs) have emerged as a promising photovoltaic technology, already achieving efficiencies surpassing 25%. However, effects such as hysteresis are commonly observed due to the interplay of ionic and electronic…

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…

Optoelectronic devices operate under continuous thermal stress that may influence both long-term stability and optical properties of the active material. It is therefore useful to know the elastic properties of the active materials. In…

Organic-inorganic lead halide perovskites containing a mixture of iodide and bromide anions consistently perform better in donor-acceptor heterojunction solar cells than the standard methylammonium lead triiodide material. This observation…

We present measurements of conductance hysteresis on CH3NH3PbI3 perovskite thin films, performed using the double-wave method, in order to investigate the possibility of a ferroelectric response. A strong frequency dependence of the…

Materials Science · Physics 2015-04-28 J. Beilsten-Edmands , G. E. Eperon , R. D. Johnson , H. J. Snaith , P. G. Radaelli

Metal halide perovskite semiconductors have outstanding optoelectronic properties. Although these perovskites are defect-tolerant electronically, defects hamper their long-term stability and cause degradation. Density functional theory…

Materials Science · Physics 2021-09-02 Haibo Xue , Geert Brocks , Shuxia Tao

Defect tolerance is a critical enabling factor for efficient lead-halide perovskite materials, but the current understanding is primarily on band-edge (cold) carriers, with significant debate over whether hot carriers (HCs) can also exhibit…

The stability and performance of halide perovskite photovoltaic devices are critically limited by progressive defect generation and associated local non-radiative losses during operation. Self-healing of defects provides a promising pathway…

In optoelectronic applications, metal halide perovskites (MHPs) are compelling materials because of their highly tuneable and intensely competitive optical properties. Colloidal synthesis enables the controlled formation of various…

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

The unprecedented rise in power conversion efficiency of solar cells based on metal halide perovskites (MHPs) has led to enormous research effort to understand their photo-physical properties. In this paper, we review the progress in…

Applied Physics · Physics 2020-07-10 Tom J. Savenije , Dengyang Guo , Valentina M. Caselli , Eline M. Hutter

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…

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…

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
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