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Alloy-based perovskite solar cells offer tunable properties and improved stability, but their complexity has impeded accurate modeling, hindering development. We present a machine-learning (ML) accelerated atomistic modeling approach for…

Materials Science · Physics 2026-05-29 Jarno Laakso , Armi Tiihonen , Patrick Rinke

Phase segregation is a critical phenomenon that influences the stability and performance of mixed halide perovskite based opto-electronic devices. In addition to the underlying physical mechanisms, the spatial pattern and randomness…

Materials Science · Physics 2021-06-08 Abhimanyu Singareddy , Uday Kiran Reddy Sadula , Pradeep R. Nair

Halide perovskites exhibit significant advantages for active optical components such as light emitting diodes, solar cells and photodetectors due to their excellent optoelectronic properties. Their nonlinear optical effects and other…

Optics · Physics 2025-11-18 Yang Yu , Kanak Kanti Bhowmik , Ruan Li , Kexin Li , Lin Zhu , Hai Xiao , Lianfeng Zhao

Hybrid organic-inorganic perovskites are exceedingly interesting candidates for new solar energy technologies, for both ground-based and space applications. However, their large-scale production is hampered by the lack of long-term…

Materials Science · Physics 2021-11-04 Johannes Teunissen , Fabiana da Pieve

The significant surge in energy use and escalating environmental concerns have sparked worldwide interest towards the study and implementation of solar cell technology. Perovskite solar cells (PSCs) have garnered remarkable attention as an…

Materials Science · Physics 2025-06-23 Md Yekra Rahman , Sharif Mohammad Mominuzzaman

Nonequilibrium processes occurring in functional materials can significantly impact device efficiencies and are often difficult to characterize due to the broad range of length and time scales involved. In particular, mixed halide hybrid…

We present a computer simulation study of the crystalline phases of hard ellipsoids of revolution. A previous study [Phys. Rev. E, \textbf{75}, 020402 (2007)] showed that for aspect ratios $a/b\ge 3$ the previously suggested stretched-fcc…

Statistical Mechanics · Physics 2015-05-13 M. Radu , P. Pfleiderer , T. Schilling

Methylammonium lead iodide perovskite has attracted intensive interest for its diverse optoelectronic applications. However, most studies to date have been limited to bulk thin films that are difficult to implement for integrated device…

This paper presents a non-invasive approach to estimate the layer thicknesses of perovskite solar cells. The thicknesses are predicted by a convolutional neural network that leverages the external quantum efficiency of a perovskite solar…

Computer Vision and Pattern Recognition · Computer Science 2025-03-14 Junhao Wang

In the last decade, hybrid organic-inorganic halide perovskites have emerged as a new type of semiconductor for photovoltaics and other optoelectronic applications. Unlike standard, tetrahedrally bonded semiconductors (e.g. Si and GaAs),…

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

Recent advances of highly efficient solar cells based on organic-inorganic halide perovskites have triggered intense research efforts to establish the fundamental properties of these materials. In this work, we utilized diamond anvil cell…

Materials Science · Physics 2015-09-15 Kai Wang , Ran Liu , Yuancun Qiao , Jinxing Cui , Bo Song , Bingbing Liu , Bo Zou

Under continuous light illumination, it is known that localized domains with segregated halide compositions form in semiconducting mixed-halide perovskites, thus severely limiting their optoelectronic applications due to the negative…

Materials Science · Physics 2023-03-21 Shengnan Feng , Rentong Duan , Yu Ju , Shuyi Li , Chunfeng Zhang , Shuxia Tao , Min Xiao , Xiaoyong Wang

Understanding the formation of lead halide (LH) perovskite solution precursors is crucial to gain insight into the evolution of these materials to thin films for solar cells. Using density-functional theory in conjunction with the…

Materials Science · Physics 2021-09-23 Richard Schier , Alejandro Conesa Rodriguez , Ana M. Valencia , Caterina Cocchi

One-dimensional organo-metal halide Perovskite (CH3NH3PbI3) nanorods whose diameter and length are dictated by the inner size of porous silicon nanotube templates have been grown, characterized and compared to bulk perovskites in the form…

Mesoscale and Nanoscale Physics · Physics 2017-03-01 Neta Arad-Vosk , Naama Rozenfeld , Roberto Gonzalez-Rodriguez , Jeffery L. Coffer , Amir Saar

A method for improving the efficiency of solar cells is combining a low-bandgap semiconductor with a singlet fission material (which converts one high energy singlet into two low energy triplets following photoexcitation). Here we present a…

Materials Science · Physics 2021-12-07 Alan R. Bowman , Samuel D. Stranks , Bartomeu Monserrat

Organic-inorganic halide perovskites, especially methylammonium lead halide, have recently led to a remarkable breakthrough in photovoltaic devices. However, due to the environmental and stability concerns of the heavy metal, lead, in these…

Materials Science · Physics 2015-09-29 Shijing Sun , Satoshi Tominaka , Jung-Hoon Lee , Fei Xie , Paul D. Bristowe , Anthony K. Cheetham

Demonstration of high-efficiency large area cells with excellent stability is an important requirement towards commercialization of perovskite solar cells (PSC). With reports of high-quality perovskite grains, it is evident that the…

Applied Physics · Physics 2019-05-22 Vikas Nandal , Pradeep R. Nair

Hybrid organic-inorganic halide perovskites are low-cost solution-processable solar cell materials with photovoltaic properties that rival those of crystalline silicon. The perovskite films are typically sandwiched between thin layers of…

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
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