A review on machine learning-guided design of energy materials DOI Creative Commons
Seongmin Kim, Jiaxin Xu,

Wenjie Shang

et al.

Progress in Energy, Journal Year: 2024, Volume and Issue: 6(4), P. 042005 - 042005

Published: Aug. 21, 2024

Abstract The development and design of energy materials are essential for improving the efficiency, sustainability, durability systems to address climate change issues. However, optimizing developing can be challenging due large complex search spaces. With advancements in computational power algorithms over past decade, machine learning (ML) techniques being widely applied various industrial research areas different purposes. material community has increasingly leveraged ML accelerate property predictions processes. This article aims provide a comprehensive review fields that employ techniques. It begins with foundational concepts broad overview applications research, followed by examples successful design. We also discuss current challenges our perspectives. Our viewpoint is will an integral component but data scarcity, lack tailored algorithms, experimentally realizing ML-predicted candidates major barriers still need overcome.

Language: Английский

Half-Heusler thermoelectrics: Advances from materials fundamental to device engineering DOI
Wenjie Li, Subrata Ghosh, Na Liu

et al.

Joule, Journal Year: 2024, Volume and Issue: 8(5), P. 1274 - 1311

Published: April 22, 2024

Language: Английский

Citations

29

High‐Throughput Strategies in the Discovery of Thermoelectric Materials DOI
Tingting Deng, Pengfei Qiu, Tingwei Yin

et al.

Advanced Materials, Journal Year: 2024, Volume and Issue: 36(13)

Published: Jan. 4, 2024

Searching for new high-performance thermoelectric (TE) materials that are economical and environmentally friendly is an urgent task TE society, but the advancements greatly limited by time-consuming high cost of traditional trial-and-error method. The significant progress achieved in computing hardware, efficient methods, advance artificial intelligence algorithms, rapidly growing material data have brought a paradigm shift investigation materials. Many electrical thermal performance descriptors proposed high-throughput (HTP) calculation methods developed with purpose to quickly screen potential from databases. Some HTP experiment also which can increase density information obtained single less time lower cost. In addition, machine learning (ML) introduced thermoelectrics. this review, strategies discovery systematically summarized. applications descriptor, calculation, experiment, ML reviewed. challenges possible directions future research discussed.

Language: Английский

Citations

25

SnSe: The rise of the ultrahigh thermoelectric performance material DOI

Taeshik Kim,

Hyungseok Lee, In Jae Chung

et al.

Bulletin of the Korean Chemical Society, Journal Year: 2024, Volume and Issue: 45(3), P. 186 - 199

Published: Jan. 29, 2024

Abstract Thermoelectric materials can generate electric power from dissipating heat without releasing any undesirable chemicals. They thus increase global energy efficiency and reduce the use of fossil fuels that are a major resource for generating energy, thereby concurrently addressing environmental crises seriously threatening humanity. Increasing thermoelectric figure merit, ZT, has been prime goal in thermoelectrics because an generation low until very recently. The recent development ultrahigh performance polycrystalline SnSe‐based is one most prominent breakthroughs history thermoelectrics. show exceptionally high ZT ~3.1 at 783 K average ~2.0 400 to K, which highest bulk systems. Here we review advances SnSe thermoelectrics, greatly changing paradigm studies applications technology.

Language: Английский

Citations

13

Dealing with the big data challenges in AI for thermoelectric materials DOI Open Access
Xue Jia, Alex Aziz, Yusuke Hashimoto

et al.

Science China Materials, Journal Year: 2024, Volume and Issue: 67(4), P. 1173 - 1182

Published: March 8, 2024

Language: Английский

Citations

10

Exploiting chemical bonding principles to design high-performance thermoelectric materials DOI
Anthony V. Powell, Paz Vaqueiro, Sahil Tippireddy

et al.

Nature Reviews Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: March 25, 2025

Language: Английский

Citations

1

High-Entropy Engineering in Thermoelectric Materials: A Review DOI Creative Commons
Subrata Ghosh, Lavanya Raman, Soumya Sridar

et al.

Crystals, Journal Year: 2024, Volume and Issue: 14(5), P. 432 - 432

Published: April 30, 2024

Thermoelectric (TE) materials play a crucial role in converting energy between heat and electricity, essentially for environmentally friendly renewable conversion technologies aimed at addressing the global crisis. Significant advances TE performance have been achieved over past decades various through key approaches, such as nanostructuring, band engineering, high-entropy engineering. Among them, design of has recently emerged forefront strategy to achieve significantly low thermal conductivity, attributed severe lattice distortion microstructure effects, thereby enhancing materials’ figure merit (zT). This review reveals progress developed decade. It discusses high-entropy-driven structural stabilization maintain favorable electrical transport properties, achieving impact high entropy on mechanical properties. Furthermore, explores theoretical development material potential strategies future advancements this field interactions among experimental studies.

Language: Английский

Citations

7

Machine learning assisted adsorption performance evaluation of biochar on heavy metal DOI
Qiannan Duan,

Pengwei Yan,

Yichen Feng

et al.

Frontiers of Environmental Science & Engineering, Journal Year: 2024, Volume and Issue: 18(5)

Published: Jan. 20, 2024

Language: Английский

Citations

6

Interpretable Machine Learning Model on Thermal Conductivity Using Publicly Available Datasets and Our Internal Lab Dataset DOI
Nikhil K. Barua, E. L. Hall,

Yifei Cheng

et al.

Chemistry of Materials, Journal Year: 2024, Volume and Issue: 36(14), P. 7089 - 7100

Published: July 3, 2024

Language: Английский

Citations

5

Recent advances in machine learning interatomic potentials for cross-scale computational simulation of materials DOI Open Access
Nian Ran, Liang Yin, Wujie Qiu

et al.

Science China Materials, Journal Year: 2024, Volume and Issue: 67(4), P. 1082 - 1100

Published: March 12, 2024

Language: Английский

Citations

4

Process optimization on kesterite-based ceramics for enhancing their thermoelectric performances assisted by active machine learning approach: A tool for metal-sulfide ceramics development DOI Creative Commons
Cédric Bourgès, G. Lambard, Naoki Sato

et al.

Acta Materialia, Journal Year: 2024, Volume and Issue: 281, P. 120342 - 120342

Published: Aug. 29, 2024

The thermal process parameters are crucial in metal-sulfides ceramics as they affect significantly the resulting physico-chemical properties.In present work, we investigated sintering effect kesterite Cu 2.125 Zn 0.875 SnS 4 on its structural, microstructural, and thermoelectric (TE) properties to highlight nonnegligible contribution of often ignored metal-sulfide ceramics.For this purpose, developed an approach combining data science with conventional material experiment/theory which can be used a tool shortcut time-consuming steps TE optimization.We confirmed that optimization control densification is critical unravelling highest potential metal sulfide non-negligible increase zT up 60 %.We propose scientific tool, synergic combination active machine learning chemistry/theory approaches, either identify most proficient well avoid degradation ceramic thus shorten number experiments.This extended not only other metalsulfide for thermoelectricity but also research fields.

Language: Английский

Citations

4