Advances in oxide thermoelectric materials: strategies, applications and beyond

Qing Wang, Zhifang Zhou, Chang Liu, Yunpeng Zheng, Zongmo Shi, Bin Wei, Wenyu Zhang, Ce-Wen Nan and Yuan-Hua Lin

Chem. Soc. Rev., 2026, 55, 358
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Effect of Cs vacancy on thermal conductivity in CsPbBr3 perovskites unveiled by deep potential molecular dynamics

Shuhao Han, Yujin Ji and Youyong Li

Nanoscale, 2025, 17, 6793
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Three-dimensional thermal network structured GnPs&MWCNTs@PBO/PEEK composites integrating high thermal conductivity and electromagnetic shielding

Yageng Bai, Hongxia Qian, Xueling Cao, Fengyu Wen, Yashu He, Jierun Ma, Lin Cheng, Yifan Wang, Haoyuan Tan, Yuxuan Gu, Pengbo Lian, Rui Chen and Jianxin Mu

J. Mater. Chem. A, 2024, 12, 24633
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Nanoscale thermal transport at PbTe grain boundaries: a neural-network-potential molecular dynamics study

Susumu Fujii, Tatsuya Yokoi and Katsuyuki Matsunaga

J. Mater. Chem. A, 2026
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CrysGraphFormer: an equivariant graph transformer for prediction of lattice thermal conductivity with interpretability

Zhengyu Sun, Weiwei Sun, Shaohan Li, Zening Yang, Mutian Zhang, Yang Yang, Huayun Geng and Jin Yu

J. Mater. Chem. A, 2024, 12, 30707
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Tuning the lattice thermal conductivity of Sb2Te3 by Cr doping: a deep potential molecular dynamics study

Pan Zhang, Wenkai Liao, Ziyang Zhu, Mi Qin, Zhenhua Zhang, Dan Jin, Yong Liu, Ziyu Wang, Zhihong Lu and Rui Xiong

Phys. Chem. Chem. Phys., 2023, 25, 15422
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Mg-based thermoelectric materials and devices: a review

Xingxing Wang, Jinzhou Zhao, Wei Wang, Zhipeng Yuan, Jianjun Shi, Peng He and Yunfeng Chang

J. Mater. Chem. C, 2026, 14, 499
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Heat transport properties of PbTe1−xSex alloys using equivariant graph neural network interatomic potential

Kevin Conley, Colton Gerber, Andrew Novick, Terra Berriodi, Eric S. Toberer and Antti J. Karttunen

Mater. Horiz., 2025, 12, 8084
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Impact of vacancy defects on the thermal conductivity of BaAgBi: a comprehensive study using molecular dynamics simulations with neural network potentials

Yunzhen Du, Yuan Yao, Kunling Peng, Jizheng Duan, Changwei Hao, Yuan Tian, Wenshan Duan, Lei Yang, Ping Lin and Sheng Zhang

Phys. Chem. Chem. Phys., 2024, 26, 24342
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Unveiling thermal transport properties of defective β−Ga2O3 through machine learning potentials

Yang Su, Jin Yan, Meiyang Yu, Chen Shen, Yuhao Fu, Tianhang Zhou and Lijun Zhang

Phys. Rev. Materials, 2026, 10
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Machine learning for next-generation thermoelectrics

Kivanc Saglik, Siddharth Srinivasan, Varsha Victor, Xizu Wang, Wei Zhang and Qingyu Yan

Materials Today Energy, 2024, 46, 101700
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Enhancement of thermoelectric performance in two-dimensional materials: A review of recent progress

Gözde Özbal Sargin, Engin Durgun, Cem Sevik and Hâldun Sevinçli

Phys. Rev. Materials, 2026, 10
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Artificial-neural-network descriptor enhancing accuracy of machine-learning interatomic potential and its application to lattice defects in Si

M. Uchida, T. Yokoi, Y. Ogura and K. Matsunaga

Phys. Rev. Materials, 2024, 8
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Nanotwinned thermoelectric materials

Ting-Rui Luo, Yingchao Wei, Zheng Ma and Junyou Yang

Materials Today Electronics, 2024, 10, 100128
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Effects of four-phonon interaction and vacancy defects on the thermal conductivity of the low-temperature phase of SnSe

Pan Zhang, Dan Jin, Mi Qin, Zhenhua Zhang, Yong Liu, Ziyu Wang, Zhihong Lu, Rui Xiong and Jing Shi

Phys. Rev. Applied, 2024, 21
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Tuning the lattice thermal conductivity of Janus SnSSe by interlayer twisting: a machine-learning-based study

Yufeng Luo, Haibin Cao, Mengke Li, Hongmei Yuan and Huijun Liu

New J. Phys., 2024, 26, 043013
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Application of neural-network potential based on trainable descriptor to crystallographically complex lattice defects in silicon

M. Uchida, T. Yokoi, Y. Ogura and K. Matsunaga

Phys. Rev. Materials, 2025, 9
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Point Defects and Grain Boundaries Effects on Electrical Transports of PbTe Using the Non-equilibrium Green’s Function

Mi Qin, Bingqing Cao, Pan Zhang, Xuemei Zhang, Ziqi Han, Xiaohong Zheng, Xianlong Wang, Xin Chen and Yongsheng Zhang

Acta Metall. Sin. (Engl. Lett.), 2025, 38, 811
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Charge defect design within PbTe grain boundaries to influence the mechanical properties

Xuemei Zhang, Jingyu Li, Shuping Guo, Lulu Huang, Mi Qin, Jianbo Zhu, Xiaoqiang Ma, Zhixin Hui and Yongsheng Zhang

Journal of Materiomics, 2026, 12, 101142
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Linking experimental findings and theoretical insights on the mechanochemical synthesis of PbTe quantum dots: The effect of ethylene glycol

H. Rojas-Chávez, Alan Miralrio, H. Cruz-Martínez, G. Carbajal-Franco and M.A. Valdés-Madrigal

Materials Today Communications, 2024, 38, 108124
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Pressure-free reactive-sintered SiC/Si3N4 composites under switching Ar and N2: Preparation, microstructure, and properties

Cunhong Song, Juntong Huang, Mingxuan Wu, Yang Xia, Qifa Wan, Bingliang Liang, Luo Huang, Lianyi Wang, Zhiguo Ye, Yongcun Ma, Ruiying Luo and Huiyong Yang

Journal of the European Ceramic Society, 2026, 46, 118012
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Origin of reduced thermal conduction by native point defects in PbTe: Perturbed molecular dynamics with neural network potential

Tatsuya Yokoi, Susumu Fujii, Yu Ogura and Katsuyuki Matsunaga

Phys. Rev. B, 2025, 112
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AI‐Driven Defect Engineering for Advanced Thermoelectric Materials

Chu‐Liang Fu, Mouyang Cheng, Nguyen Tuan Hung, Eunbi Rha, Zhantao Chen, Ryotaro Okabe, Denisse Córdova Carrizales, Manasi Mandal, Yongqiang Cheng and Mingda Li

Advanced Materials, 2025, 37
DOI: 10.1002/adma.202505642

Anomalous suppression of thermal conductivity in SnSe induced by aliovalent doping

Pan Zhang, Fang Lyu, Shiwei Chen, Yong Liu, Ziyu Wang, Zhihong Lu, Rui Xiong and Shiheng Liang

Phys. Rev. B, 2025, 112
DOI: 10.1103/rq8z-n7d9