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Related papers: Multiscale Models For Perovskite Optimisation

200 papers

The 2D/3D construction of hybrid perovskite interfaces is gaining increasing attention due to their enhanced stability towards degradation without compromising the corresponding solar cell efficiency. Much of it is due to the interfacial…

Materials Science · Physics 2025-07-17 Hrishit Banerjee , Md. Khaja Nazeeruddin , Sudip Chakraborty

With rapidly growing photoconversion efficiencies, hybrid perovskite solar cells have emerged as promising contenders for next generation, low-cost photovoltaic technologies. Yet, the presence of nanoscale defect clusters, that form during…

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…

Halide perovskites have emerged as promising candidates for high-performance solar cells. This study investigates the temperature-dependent optoelectronic properties of mixed-cation mixed-halide perovskite solar cells using…

A multi-timescale hybrid model is proposed to study microscopically the degraded performance of electronic devices, covering three individual stages of radiation effects studies, including ultrafast displacement cascade, intermediate defect…

Materials Science · Physics 2014-09-16 Danhong Huang , Fei Gao , D. A. Cardimona

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

Understanding the phase behavior of mixed-cation halide perovskites is critical for optimizing their structural stability and optoelectronic performance. Here, we map the phase diagram of MA$_{1-x}$FA$_x$PbI$_3$ using a machine-learned…

Materials Science · Physics 2025-03-31 Tobias Hainer , Erik Fransson , Sangita Dutta , Julia Wiktor , Paul Erhart

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

Perovskite solar cells are promising candidates for next-generation photovoltaics. However, their performance as multi-scale devices is determined by complex interactions between their constituent layers. This creates a vast combinatorial…

Machine Learning · Computer Science 2025-11-25 Lucas Li , Jean-Baptiste Puel , Florence Carton , Dounya Barrit , Jhony H. Giraldo

Layered "mosaic" metal-halide perovskite materials display a wide-variety of microstructures that span the order-disorder spectrum and can be tuned via the composition of their constituent B-site octahedral species. Such materials are…

Materials Science · Physics 2025-11-25 Murray Skolnick , Salvatore Torquato

The role of data in modern materials science becomes more valuable and accurate when effects such as electron-phonon coupling and anharmonicity are included, providing a more realistic representation of finite-temperature material behavior.…

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,…

Organic-inorganic hybrid perovskites (OIHPs) have attracted extensive research interest as a promising candidate for efficient and inexpensive solar cells. Transmission electron microscopy characterizations that can benefit the fundamental…

Perovskite photovoltaics (PV) have achieved rapid development in the past decade in terms of power conversion efficiency of small-area lab-scale devices; however, successful commercialization still requires further development of low-cost,…

Machine Learning · Computer Science 2022-02-08 Zhe Liu , Nicholas Rolston , Austin C. Flick , Thomas W. Colburn , Zekun Ren , Reinhold H. Dauskardt , Tonio Buonassisi

Light Management (LM) is essential for metal-halide perovskite solar cells in their race for record performance. In this review, criteria on materials, processes and photonic engineering are established such as to enhance mainly the short…

With the consideration of photon recycling effect, the efficiency limit of methylammonium lead iodide (CH3NH3PbI3) perovskite solar cells is predicted by a detailed balance model. To obtain convincing predictions, both AM 1.5 spectrum of…

Materials Science · Physics 2015-07-01 Wei E. I. Sha , Xingang Ren , Luzhou Chen , Wallace C. H. Choy

CH3NH3PbI3 perovskite is nowadays amongst the most promising photovoltaic materials for energy conversion. We have studied by ab-initio calculations, using several levels of approximation - namely density functional theory including…

Materials Science · Physics 2017-11-10 Malgorzata Wierzbowska , Juan Jose Melendez , Daniele Varsano

Interpreting the impedance response of perovskite solar cells (PSC) is significantly more challenging than for most other photovoltaics. This is for a variety of reasons, of which the most significant are the mixed ionic-electronic…

Solution-processed, lead halide-based perovskite solar cells have overcome important challenges over the recent years, offering low-cost and high solar power conversion efficiencies. However, they still undergo unoptimized light collection…

Hybrid peroskite solar cells are newly emergent high-performance photovoltaic devices, which suffer from disadvantages such as toxic elements, short-term stabilities, and so on. Searching for alternative perovskites with high photovoltaic…

Materials Science · Physics 2023-08-02 Linkang Zhan , Danfeng Ye , Xinjian Qiu , Yan Cen
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