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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…

材料科学 · 物理学 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…

物理与社会 · 物理学 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…

材料科学 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

计算物理 · 物理学 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…

计算工程、金融与科学 · 计算机科学 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…

材料科学 · 物理学 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…

最优化与控制 · 数学 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…

应用物理 · 物理学 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…

材料科学 · 物理学 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…

计算工程、金融与科学 · 计算机科学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

系统与控制 · 电气工程与系统科学 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…

材料科学 · 物理学 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…

应用物理 · 物理学 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…

机器学习 · 计算机科学 2023-07-13 Marc Duquesnoy , Chaoyue Liu , Vishank Kumar , Elixabete Ayerbe , Alejandro A. Franco