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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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

光学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

统计力学 · 物理学 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…

计算机视觉与模式识别 · 计算机科学 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…

应用物理 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

材料科学 · 物理学 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…

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…

应用物理 · 物理学 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…

材料科学 · 物理学 2017-09-14 Kwisung Kwak , Eunhak Lim , Namyoung Ahn , Jiyoung Heo , Kijoon Bang , Seong Keun Kim , Mansoo Choi