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All-perovskite tandem solar cells promise high photovoltaic performance at low cost. So far however, their efficiencies cannot compete with traditional inorganic multi-junction solar cells and they generally underperform in comparison to…

Point defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learning (ML) models trained on computational data can enable…

Materials Science · Physics 2026-05-26 Arun Mannodi-Kanakkithodi , Menglin Huang , Prashun Gorai , Seán R. Kavanagh

Much of today's sustainability discourse emphasizes efficiency, clean technologies, and smart systems, but largely underestimates fundamental physical constraints relating to energy-matter interactions. These constraints stem from the fact…

Physics and Society · Physics 2025-12-12 José Halloy , Petros Chatzimpiros , François Graner , Thomas Gregor

In the pursuit of designing safer and more efficient energy-absorbing structures, engineers must tackle the challenge of improving crush performance while balancing multiple conflicting objectives, such as maximising energy absorption and…

Materials Science · Physics 2025-02-25 Hirak Kansara , Siamak F. Khosroshahi , Leo Guo , Miguel A. Bessa , Wei Tan

Understanding and quantifying the main loss factors affecting the power conversion efficiency of perovskite solar cells are urgently needed. In this work, based on semiconductor physics, the expressions of bulk and surface recombination…

Mesoscale and Nanoscale Physics · Physics 2021-03-23 Ting Xu , Zi-Shuai Wang , Xuan-Hua Li , Wei E. I. Sha

Data-driven science is heralded as a new paradigm in materials science. In this field, data is the new resource, and knowledge is extracted from materials data sets that are too big or complex for traditional human reasoning - typically…

Computational Physics · Physics 2019-10-28 Lauri Himanen , Amber Geurts , Adam S. Foster , Patrick Rinke

The optimization of functional materials is important to enhance their properties, but their complex geometries pose great challenges to optimization. Data-driven algorithms efficiently navigate such complex design spaces by learning…

Computational Engineering, Finance, and Science · Computer Science 2025-06-05 Seongmin Kim , In-Saeng Suh

Since the photoconversion efficiency $\eta$ of the silicon-based solar cells (SCs) under laboratory conditions is approaching the theoretical fundamental limit, further improvement of their performance requires theoretical modeling and/or…

Materials Science · Physics 2024-09-04 V. P. Kostylyov , A. V. Sachenko , M. Evstigneev , I. O. Sokolovskyi , A. I. Shkrebtii

With the rapid growth in renewable energy and battery storage technologies, there exists significant opportunity to improve energy efficiency and reduce costs through optimization. However, optimization algorithms must take into account the…

Optimization and Control · Mathematics 2019-02-19 Chaitanya Poolla , Abraham K. Ishihara , Rodolfo Milito

Organic solar cells (OSCs) have received a special attention over the past years due to their solution processability, low cost, flexibility and capability of role-to-role production. The power conversion efficiency of these devices has…

Applied Physics · Physics 2020-08-19 Fahmi F. Muhammadsharif

The great tunability of the properties of halide perovskites presents new opportunities for optoelectronic applications as well as significant challenges associated with exploring combinatorial chemical spaces. In this work, we develop a…

Materials Science · Physics 2021-09-23 Arun Mannodi-Kanakkithodi , Maria K. Y. Chan

With remarkable stability and exceptional optoelectronic properties, two-dimensional (2D) halide layered perovskites hold immense promise for revolutionizing photovoltaic technology. Presently, inadequate representations have substantially…

Computational Engineering, Finance, and Science · Computer Science 2024-07-25 Chuan-Shen Hu , Rishikanta Mayengbam , Kelin Xia , Tze Chien Sum

Expanding the pool of stable halide perovskites with attractive optoelectronic properties is crucial to addressing current limitations in their performance as photovoltaic (PV) absorbers. In this article, we demonstrate how a…

Materials Science · Physics 2023-10-23 Jiaqi Yang , Panayotis Manganaris , Arun Mannodi-Kanakkithodi

Lead-free chalcogenide perovskites are emerging as game-changers in the race for sustainable, high-performance photovoltaics. These materials offer a perfect trifecta: non-toxic elemental composition, exceptional phase stability, and…

Materials Science · Physics 2025-09-19 Surajit Adhikari , Priya Johari

Grid-connected hybrid renewable power systems with energy storage can reduce the intermittency of renewable power supply. However, emerging energy storage technologies need improvement to compete with lithium-ion batteries and reduce the…

Systems and Control · Electrical Eng. & Systems 2023-11-29 Sleiman Farah , Gorm Bruun Andresen

Scientific discovery is severely bottlenecked by the inability of manual curation to keep pace with exponential publication rates. This creates a widening knowledge gap. This is especially stark in photovoltaics, where the leading database…

Increasing photovoltaic conversion efficiency, or PCE, has proven to be a critical factor in the transition to renewable energy. There exist strong interdependencies between the perovskite crystals and multijunction architectures within…

Materials Science · Physics 2025-01-15 Sutharsika Kumar Kalaiselvi

Perovskite solar cells (PSCs) are the most promising technology for advancing current photovoltaic performance. However, the main challenge for their practical deployment and commercialization is their operational stability, affected by…

Low cost, highly efficient, and stable solar cells demand low temperature processing, less stringent criteria on materials, and possibility of dynamic recovery from long term degradation: a combination of features unachievable from the…

Applied Physics · Physics 2021-04-07 Nithin Chatterji , Swasti Bhatia , Anil Kumar , Aldrin Antony , Pradeep R. Nair

The optimization of the electrode manufacturing process is important for upscaling the application of Lithium Ion Batteries (LIBs) to cater for growing energy demand. In particular, LIB manufacturing is very important to be optimized…

Machine Learning · Computer Science 2023-07-13 Marc Duquesnoy , Chaoyue Liu , Vishank Kumar , Elixabete Ayerbe , Alejandro A. Franco
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