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Thermoelectric materials can generate clean energy by transforming waste heat into electricity. The effectiveness of thermoelectric materials is measured by the dimensionless figure of merit, ZT. The quest for high ZT materials has drawn…

Materials Science · Physics 2025-09-03 Chung T. Ma , S. Joseph Poon

Thermoelectric materials offer a promising pathway to directly convert waste heat to electricity. However, achieving high performance remains challenging due to intrinsic trade-offs between electrical conductivity, the Seebeck coefficient,…

Thermoelectric materials can be used to construct devices which recycle waste heat into electricity. However, the best known thermoelectrics are based on rare, expensive or even toxic elements, which limits their widespread adoption. To…

Materials Science · Physics 2022-12-14 Luis M. Antunes , Keith T. Butler , Ricardo Grau-Crespo

The discovery of high-performance thermoelectric (TE) materials for advancing green energy harvesting from waste heat is an urgent need in the context of looming energy crisis and climate change. The rapid advancement of machine learning…

Materials Science · Physics 2026-03-26 Shoeb Athar , Philippe Jund

Thermoelectric materials can achieve direct energy conversion between electricity and heat, thus can be applied to waste heat harvesting and solid-state cooling. The discovery of new thermoelectric materials is mainly based on experiments…

Materials Science · Physics 2024-05-07 Tao Fan , Artem R. Oganov

It is well known that the efficiency of a good thermoelectric material should be optimized with respect to doping concentration. However, much less attention has been paid to the optimization of the dopant's energy level. Thermoelectric…

Materials Science · Physics 2017-09-13 Qichen Song , Jiawei Zhou , Laureen Meroueh , David Broido , Zhifeng Ren , Gang Chen

Efficient thermoelectric materials are highly desirable, and the quest for finding them has intensified as they could be promising alternatives to fossil energy sources. Here we present a general first-principles approach to predict, in…

Materials Science · Physics 2017-10-10 Maribel Núñez-Valdez , Zahed Allahyari , Tao Fan , Artem R. Oganov

Thermoelectric materials are opening a promising pathway to address energy conversion issues governed by a competition between thermal and electronic transport. Improving the efficiency is a difficult task, a challenge that requires new…

Materials Science · Physics 2017-09-13 G. Bouzerar , S. Thébaud , Ch. Adessi , R. Debord , M. Apreutesei , R. Bachelet , S. Pailhès

Reliable artificial-intelligence models have the potential to accelerate the discovery of materials with optimal properties for various applications, including superconductivity, catalysis, and thermoelectricity. Advancements in this field…

Materials Science · Physics 2023-06-07 Thomas A. R. Purcell , Matthias Scheffler , Luca M. Ghiringhelli , Christian Carbogno

The integration of machine learning techniques with triboelectric nanogenerators (TENGs) offers a transformative pathway for optimizing energy harvesting technologies. In this study, we propose a comprehensive framework that utilizes graph…

Materials Science · Physics 2025-09-08 Guanping Xu , Zirui Zhao , Zhong Lin Wang , Hai-Feng Li

The predictive performance screening of novel compounds can significantly promote the discovery of efficient, cheap, and non-toxic thermoelectric materials. Large efforts to implement machine-learning techniques coupled to materials…

Applied Physics · Physics 2020-12-07 Patrizio Graziosi , Chathurangi Kumarasinghe , Neophytos Neophytou

The rapid discovery of materials is constrained by the lack of large, machine-readable datasets that couple performance metrics with structural context. Existing databases are either small, manually curated, or biased toward first…

Machine Learning · Computer Science 2026-03-10 Subham Ghosh , Abhishek Tewari

Thermal energy can be directly converted to electrical energy as a result of thermoelectric effects. Because this conversion realises clean energy technology, such as waste heat recovery and energy harvesting, substantial efforts have been…

Materials Science · Physics 2023-03-30 Byungki Ryu , Jaywan Chung , SuDong Park

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev

Heat management is crucial for state-of-the-art applications such as passive radiative cooling, thermally adjustable wearables, and camouflage systems. Their adaptive versions, to cater to varied requirements, lean on the potential of…

Applied Physics · Physics 2023-11-06 Peng Jin , Liujun Xu , Guoqiang Xu , Jiaxin Li , Cheng-Wei Qiu , Jiping Huang

We present a data-driven approach for accelerating the discovery of high-performance CoSb$_3$-based skutterudites by curating a comprehensive dataset of compositions with various filler elements from over 300 research articles. Leveraging…

Materials Science · Physics 2026-04-08 Yagnik Bandyopadhyay , Dylan Noel Serrao , Houlong L. Zhuang

Thermoelectric materials, which can convert waste heat into electricity or act as solid-state Peltier coolers, are emerging as key technologies to address global energy shortages and environmental sustainability. However, discovering…

Applied Physics · Physics 2024-03-12 Kaidong Song , A. N. M. Tanvir , Md Omarsany Bappy , Yanliang Zhang

The advent of material databases provides an unprecedented opportunity to uncover predictive descriptors for emergent material properties from vast data space. However, common reliance on high-throughput ab initio data necessarily inherits…

High-throughput computational and experimental design of materials aided by machine learning have become an increasingly important field in material science. This area of research has emerged in leaps and bounds in the thermal sciences, in…

Materials Science · Physics 2019-06-17 Hang Zhang , Kedar Hippalgaonkar , Tonio Buonassisi , Ole M. Løvvik , Espen Sagvolden , Ding Ding

Thermoelectric energy conversion is an attractive technology for generating electricity from waste heat and using electricity for solid-state cooling. However, conventional manufacturing processes for thermoelectric devices are costly and…

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