Precision engineering of copper vacancies in CuInTe2 for synergistically enhanced thermoelectric performance

Songlin Li, Chenghao Xie, Keke Liu, Jiabei Liu, Junxi Mei, Guoqing Ding, Jingjing Cui, Weibin Xu, Chengchen Cao, Qingjie Zhang, Xinfeng Tang and Gangjian Tan

J. Mater. Chem. A, 2025, 13, 27691
DOI: 10.1039/D5TA04714E

Soft phonon modes lead to suppressed thermal conductivity in Ag-based chalcopyrites under high pressure

Kunpeng Yuan, Xiaoliang Zhang, Yufei Gao and Dawei Tang

Phys. Chem. Chem. Phys., 2023, 25, 24883
DOI: 10.1039/D3CP03087C

Lattice plainification and high symmetry enhance the thermoelectric performance of n-type Bi2Te3-based materials

Chao Liang, Yi Wen, Shulin Bai, Rong Liu, Huiqiang Liang, Xin Qian, Yating Yuan, Xiaoqian Wang, Xiaokun Feng, Zhenguo Bai, Wanxuan Chen, Yiqing Jia, Tian Gao, Sining Wang, Yuting Qiu, Yongjin Chen, Xiang Gao, Haonan Shi, Lizhong Su and Peikang Bai

J. Mater. Chem. A, 2026, 14, 10785
DOI: 10.1039/D5TA09397J

Rare three-valence-band convergence leading to ultrahigh thermoelectric performance in all-scale hierarchical cubic SnTe

Fan Li, Xin Liu, Shu-Rong Li, Xiao-Fan Zhang, Ni Ma, Xin-Jing Li, Xin-Yun Lin, Ling Chen, Haijun Wu and Li-Ming Wu

Energy Environ. Sci., 2024, 17, 158
DOI: 10.1039/D3EE02482B

Harnessing the unusually strong improvement of thermoelectric performance of AgInTe2 with nanostructuring

Jose J. Plata, Ernesto J. Blancas, Antonio M. Márquez, Victor Posligua, Javier Fdez Sanz and Ricardo Grau-Crespo

J. Mater. Chem. A, 2023, 11, 16734
DOI: 10.1039/D3TA02055J

High thermoelectric performance and compatibility in Cu3SbSe4–CuAlS2 composites

Yuling Huang, Xingchen Shen, Guiwen Wang, Bin Zhang, Sikang Zheng, Chun-Chuen Yang, Xuan Hu, Shaokuan Gong, Guang Han, Guoyu Wang, Xu Lu and Xiaoyuan Zhou

Energy Environ. Sci., 2023, 16, 1763
DOI: 10.1039/D3EE00128H

Search for mid- and high-entropy transition-metal chalcogenides – investigating the pentlandite structure

Andrzej Mikuła, Juliusz Dąbrowa, Anna Kusior, Krzysztof Mars, Radosław Lach and Maciej Kubowicz

Dalton Trans., 2021, 50, 9560
DOI: 10.1039/D1DT00794G

High-entropy materials for thermoelectric applications: towards performance and reliability

Nouredine Oueldna, Noha Sabi, Hasna Aziam, Vera Trabadelo and Hicham Ben Youcef

Mater. Horiz., 2024, 11, 2323
DOI: 10.1039/D3MH02181E

Structural, electronic, optical, elastic, thermodynamic and thermal transport properties of Cs2AgInCl6 and Cs2AgSbCl6 double perovskite semiconductors using a first-principles study

Keqing Zhang, Lijun Zhang, S. K. S. Saravana Karthikeyan, Chang Yi Kong, Fuchun Zhang, Xiang Guo, Nam Nguyen Dang, Sankar Ganesh Ramaraj and Xinghui Liu

Phys. Chem. Chem. Phys., 2023, 25, 31848
DOI: 10.1039/D3CP03795A

Unusual electronic transport in (1 −x)Cu2Se–(x)CuInSe2hierarchical composites

Yixuan Chen, Yinying Zhang, Ruiming Lu, Trevor P. Bailey, Ctirad Uher and Pierre F. P. Poudeu

Nanoscale Adv., 2022, 4, 4279
DOI: 10.1039/D2NA00230B

Data analytics accelerates the experimental discovery of Cu1−xAgxGaTe2 based thermoelectric chalcogenides with high figure of merit

Yaqiong Zhong, Xiaojuan Hu, Debalaya Sarker, Xianli Su, Qingrui Xia, Liangliang Xu, Chao Yang, Xinfeng Tang, Sergey V. Levchenko, Zhongkang Han and Jiaolin Cui

J. Mater. Chem. A, 2023, 11, 18651
DOI: 10.1039/D3TA03990K

Performance enhancement mechanisms of calcium-based thermochemical energy storage compounds: insights from first-principles and experimental investigations

S. J. Guo, X. K. Tian, J. Yan, S. H. Ju and C. Y. Zhao

J. Mater. Chem. A, 2024, 12, 14129
DOI: 10.1039/D4TA01509F

Intrinsically ultralow thermal conductive inorganic solids for high thermoelectric performance

Moinak Dutta, Debattam Sarkar and Kanishka Biswas

Chem. Commun., 2021, 57, 4751
DOI: 10.1039/D1CC00830G

Strategies and Prospects for High-Performance Te-Free Thermoelectric Materials

Hongwei Ming, Zhong-Zhen Luo, Zhigang Zou and Mercouri G. Kanatzidis

Chem. Rev., 2025, 125, 3932
DOI: 10.1021/acs.chemrev.4c00786

Zn-Induced Defect Complexity for the High Thermoelectric Performance of n-Type PbTe Compounds

Yu Cao, Hui Bai, Zhi Li, Zhengkai Zhang, Yingfei Tang, Xianli Su, Jinsong Wu and Xinfeng Tang

ACS Appl. Mater. Interfaces, 2021, 13, 43134
DOI: 10.1021/acsami.1c14518

Off-centering effect and crystal symmetry modification lead to high thermoelectric performance in diamondoid Cu<sub>2</sub>SnSe<sub>3</sub>

Pengpeng Chen, Shulin Bai, Yi Wen, Yichen Li, Zihao Zhao, Dezheng Gao, Houdong Huang, Yixuan Hu, Tian Gao, Lei Wang, Shaoping Zhan, Xiang Gao, Xianli Su, Hongyao Xie and Li-Dong Zhao

NSO, 2025, 4, 20250004
DOI: 10.1360/nso/20250004

Doping Achieves High Thermoelectric Performance in SnS: A First-Principles Study

Zhi Li, Xianli Su and Xinfeng Tang

ACS Appl. Mater. Interfaces, 2022, 14, 6916
DOI: 10.1021/acsami.1c24028

Bidirectional optimization of transport properties for thermoelectric performance via hydrostatic pressure in chalcopyrite AgXTe2 (X=In, Ga)

Siqi Guo, Jincheng Yue, Jiongzhi Zheng, Hui Zhang, Ning Wang, Junda Li, Yanhui Liu and Tian Cui

Phys. Rev. B, 2025, 111
DOI: 10.1103/PhysRevB.111.184312

Stepwise Vacancy Manipulation for Optimized Carrier Concentration and Blocked Phonon Transport Realizing Record High Figure of Merit zT in CuInTe2

Tingdong Zhang, Suiting Ning, Tingting Zhang, Ning Qi, Xianli Su, Xinfeng Tang and Zhiquan Chen

Adv Funct Materials, 2025, 35
DOI: 10.1002/adfm.202419984

Rattling-induced effects of Ag atoms and anomalous phonon transport along with thermoelectric performance in silver-based chalcopyrite AgGaX2 (X = Se, Te)

Shuangshuang Luan, Yinchang Zhao, Jun Ni and Zhenhong Dai

Materials Today Physics, 2025, 56, 101769
DOI: 10.1016/j.mtphys.2025.101769

Bridging the miscibility gap towards higher thermoelectric performance of PbS

Rui Cheng, Dongyang Wang, Hui Bai, Jinsong Wu, Wei Liu, Li-Dong Zhao, Xinfeng Tang and Gangjian Tan

Acta Materialia, 2021, 220, 117337
DOI: 10.1016/j.actamat.2021.117337

Structure Evolution and Bonding Inhomogeneity toward High Thermoelectric Performance in Cu2CoSnS4–xSex Materials

Taras Parashchuk, Oleksandr Cherniushok, Oleksandr Smitiukh, Oleg Marchuk and Krzysztof T. Wojciechowski

Chem. Mater., 2023, 35, 4772
DOI: 10.1021/acs.chemmater.3c00586

Unfolding the mysterious roles of GeTe/SnTe compositing within CuInTe2 thermoelectric alloy: Short-range and local chemical orders

Wenxin Fan, Pengfei Yu, Lifeng Jiang, Zhen Tian, Erkuo Yang, Saichao Cao, Huijun Kang, Enyu Guo, Zongning Chen, Rongchun Chen, Mingxu Xia and Tongmin Wang

Acta Materialia, 2024, 281, 120363
DOI: 10.1016/j.actamat.2024.120363

Ultralow thermal conductivity of thermoelectric compound Ag2BaGeSe4

Y. X. Tang, A. J. Hong, W. J. Zhai, Y. Shao, L. Lin, Z. B. Yan, X. H. Zhou, X. M. Lu, C. Chen, X. P. Jiang and J.-M. Liu

AIP Advances, 2021, 11
DOI: 10.1063/5.0076217

Understanding the origins of low lattice thermal conductivity in a novel two-dimensional monolayer NaCuS for achieving medium-temperature thermoelectric applications

Lang Zhou, Chengwei Hu, Shaobo Chen, Qingping Dai, Jun Wei, Yangfang Liao, Xiaolu Wang, Bing Lv and Wenzhong Wang

Applied Surface Science, 2023, 614, 156167
DOI: 10.1016/j.apsusc.2022.156167

Unconventional Doping Effect Leads to Ultrahigh Average Thermoelectric Power Factor in Cu3SbSe4‐Based Composites

Yuling Huang, Bin Zhang, Jingwei Li, Zizhen Zhou, Sikang Zheng, Nanhai Li, Guiwen Wang, De Zhang, Daliang Zhang, Guang Han, Guoyu Wang, Xiaodong Han, Xu Lu and Xiaoyuan Zhou

Advanced Materials, 2022, 34
DOI: 10.1002/adma.202109952

Mechanism of the low thermal conductivity in novel two-dimensional NaCuSe

Chengwei Hu, Lang Zhou, Xiaona Hu, Bing Lv and Zhibin Gao

Applied Surface Science, 2023, 613, 156064
DOI: 10.1016/j.apsusc.2022.156064

Recent Progress on Quaternary Copper-based Diamondoid Thermoelectric Materials

Hongyao Xie and Li-Dong Zhao

MatLab, 2024, 3
DOI: 10.54227/mlab.20240005

Strong anharmonicity induced low lattice thermal conductivity and high thermoelectric performance in (CuInTe2)1−x(AgSbTe2)x system

Qihong Xiong, Yanci Yan, Nanhai Li, Bin Zhang, Sikang Zheng, Yajie Feng, Guiwen Wang, Huijun Liao, Zhengyong Huang, Jian Li, Guoyu Wang, Xu Lu and Xiaoyuan Zhou

Applied Physics Letters, 2022, 121
DOI: 10.1063/5.0095121

Thermoelectric Silver‐Based Chalcogenides

Si Yin Tee, Daniel Ponsford, Chee Leng Lay, Xiaobai Wang, Xizu Wang, Darren Chi Jin Neo, Tianze Wu, Warintorn Thitsartarn, Jayven Chee Chuan Yeo, Guijian Guan, Tung‐Chun Lee and Ming‐Yong Han

Advanced Science, 2022, 9
DOI: 10.1002/advs.202204624

Temperature-dependent phonon anharmonicity and thermal transport in CuInTe2

Hao Yu, Liu-Cheng Chen, Hong-Jie Pang, Peng-Fei Qiu, Qing Peng and Xiao-Jia Chen

Phys. Rev. B, 2022, 105
DOI: 10.1103/PhysRevB.105.245204

Metallic Transport in Pseudocubic Quaternary Diamondoid Thermoelectric Semiconductor

Zihao Zhao, Yi Wen, Shulin Bai, Pengpeng Chen, Yichen Li, Dezheng Gao, Lei Wang, Yixuan Hu, Tian Gao, Junjie Li, Xiang Gao, Hongyao Xie and Li‐Dong Zhao

Small, 2026, 22
DOI: 10.1002/smll.202514166

Orchestrating valence band flattening and phonon coupling for high-performance CuInTe2 thermoelectrics

Zeqing Hu, Minwen Yang, Wenjie Li, Jiahao Jiang and Jing Shuai

Nano Energy, 2026, 150, 111758
DOI: 10.1016/j.nanoen.2026.111758

Pressure-mediated band engineering and cation ordering for enhanced thermoelectric performance in CuInTe2 chalcopyrites

Jiaman Wei, Wei Yu, Zhijian Li, Jiaxin Hu, Tonghui Wang, Yuan Yu and Xin Guo

Chemical Engineering Journal, 2025, 521, 166531
DOI: 10.1016/j.cej.2025.166531

Structural Design via Pressure Enables zT > 1 for CuInTe2 Chalcopyrites

Yaqiang Wang, Jiaman Wei, Yi Wu, Wei Yu and Xin Guo

ACS Appl. Mater. Interfaces, 2025, 17, 25526
DOI: 10.1021/acsami.5c05309

Phase transition and abnormal electrical properties of AgInSe2 driven by high-pressure sintering

Wei Yu, He Zhang, Yizhou Li, Qingyong Ren, Tonghui Wang, Qing Jiang and Xin Guo

Phys. Rev. B, 2025, 111
DOI: 10.1103/PhysRevB.111.035202

Chemical Composition Modulation Realizing Remarkable Improvement of Thermoelectric Performance in CuInTe2-Based Alloy

Luping Qu, Yong Luo, Cong Li, Zhengliang Du, Xie Li and Jiaolin Cui

ACS Appl. Mater. Interfaces, 2024
DOI: 10.1021/acsami.4c02739

Entropy and Enthalpy Co‐Tuning Strategy in Cu2‐yAgy(In0.06Sn0.94)Se2S System toward Excellent Thermoelectric Performance

Wanjia Zhang, Fanshi Wu, Yezhen Hua, Haonan Nie, Pengfei Xu, Wei Zhao, Xiyang Wang, Shinhyo Bang, Xiaofeng Guo, Yue Lou and Biao Xu

Adv Funct Materials, 2025, 35
DOI: 10.1002/adfm.202420268

Toward Efficient Thermoelectric Materials and Devices: Advances, Challenges, and Opportunities

Xiao-Lei Shi, Nan-Hai Li, Meng Li and Zhi-Gang Chen

Chem. Rev., 2025, 125, 7525
DOI: 10.1021/acs.chemrev.5c00060

Enhanced Thermoelectric Efficiency through Li-Induced Phonon Softening in CuGaTe2

Jan-Hendrik Pöhls, Marissa MacIver, Sevan Chanakian, Alexandra Zevalkink, Yu-Chih Tseng and Yurij Mozharivskyj

Chem. Mater., 2022, 34, 8719
DOI: 10.1021/acs.chemmater.2c01869

Silver Atom Off-Centering in Diamondoid Solid Solutions Causes Crystallographic Distortion and Suppresses Lattice Thermal Conductivity

Hongyao Xie, Zhi Li, Yukun Liu, Yinying Zhang, Ctirad Uher, Vinayak P. Dravid, Christopher Wolverton and Mercouri G. Kanatzidis

J. Am. Chem. Soc., 2023, 145, 3211
DOI: 10.1021/jacs.2c13179

Enhancing Thermoelectric Performance of CuInTe2 via Trace Ag Doping at Indium Sites

Erkuo Yang, Quanwei Jiang, Guangshu Li, Zhen Tian, Jianbo Li, Huijun Kang, Zongning Chen, Enyu Guo, Jun Wang and Tongmin Wang

ACS Appl. Mater. Interfaces, 2023, 15, 49370
DOI: 10.1021/acsami.3c11825

Copper-Based Diamond-like Thermoelectric Compounds: Looking Back and Stepping Forward

Wenying Wang, Lin Bo, Junliang Zhu and Degang Zhao

Materials, 2023, 16, 3512
DOI: 10.3390/ma16093512

Highly Off‐Centering Cations in Pavonite‐Structured Ag1.75InSb5.75Se11 with Competitive Thermoelectric Performance

Chenghao Xie, Rongcheng Li, Weibin Xu, Bowen Jin, Xiao‐Lei Shi, Xinfeng Tang, Gangjian Tan and Zhi‐Gang Chen

Adv Funct Materials, 2025, 35
DOI: 10.1002/adfm.202421545

Structure and thermoelectric performance of Ag_yIn_3.33–y/3Se₅ compounds

Peng Zi, Hui Bai, Cong Wang, Yu-Tian Wu, Pei-An Ren, Qi-Rui Tao, Jin-Song Wu, Xian-Li Su and Xin-Feng Tang

Acta Phys. Sin., 2022, 71, 117101
DOI: 10.7498/aps.71.20220179

Constructing in-situ heterostructure toward high-performance and stable Cu–S thermoelectrics

Xinyuan Wang, Cédric Bourgès, Longquan Wang, Gang Wu, Xinzhi Wu and Takao Mori

Journal of Materials Science & Technology, 2026, 267, 46
DOI: 10.1016/j.jmst.2025.12.015

Origin of off-centering effect and the influence on heat transport in thermoelectrics

Hongyao Xie and Li-Dong Zhao

Mater. Futures, 2024, 3, 013501
DOI: 10.1088/2752-5724/ad1ac0

The Role of Off-centering Behavior and Acoustic-Optical Phonon Coupling in Heat Transport

Hongyao Xie

MatLab, 2022, 1
DOI: 10.54227/mlab.20220051

Significantly Enhanced Thermoelectric Performance Achieved in CuGaTe2 through Dual-Element Permutations at Cation Sites

Mengyue Wu, Lujun Zhu, Shixuan Liu, Mingzhen Song, Fudong Zhang, Pengfei Liang, Xiaolian Chao, Zupei Yang, Jiaqing He and Di Wu

ACS Appl. Mater. Interfaces, 2022, 14, 30046
DOI: 10.1021/acsami.2c07557

Key properties of inorganic thermoelectric materials—tables (version 1)

Robert Freer, Dursun Ekren, Tanmoy Ghosh, Kanishka Biswas, Pengfei Qiu, Shun Wan, Lidong Chen, Shen Han, Chenguang Fu, Tiejun Zhu, A K M Ashiquzzaman Shawon, Alexandra Zevalkink, Kazuki Imasato, G. Jeffrey Snyder, Melis Ozen, Kivanc Saglik, Umut Aydemir, Raúl Cardoso-Gil, E Svanidze, Ryoji Funahashi, Anthony V Powell, Shriparna Mukherjee, Sahil Tippireddy, Paz Vaqueiro, Franck Gascoin, Theodora Kyratsi, Philipp Sauerschnig and Takao Mori

J. Phys. Energy, 2022, 4, 022002
DOI: 10.1088/2515-7655/ac49dc

High Thermoelectric Performance in Chalcopyrite Cu1–xAgxGaTe2–ZnTe: Nontrivial Band Structure and Dynamic Doping Effect

Hongyao Xie, Yukun Liu, Yinying Zhang, Shiqiang Hao, Zhi Li, Matthew Cheng, Songting Cai, G. Jeffrey Snyder, Christopher Wolverton, Ctirad Uher, Vinayak P. Dravid and Mercouri G. Kanatzidis

J. Am. Chem. Soc., 2022, 144, 9113
DOI: 10.1021/jacs.2c02726

Ultralow Thermal Conductivity in Diamondoid Structures and High Thermoelectric Performance in (Cu1–xAgx)(In1–yGay)Te2

Hongyao Xie, Shiqiang Hao, Trevor P. Bailey, Songting Cai, Yinying Zhang, Tyler J. Slade, G. Jeffrey Snyder, Vinayak P. Dravid, Ctirad Uher, Christopher Wolverton and Mercouri G. Kanatzidis

J. Am. Chem. Soc., 2021, 143, 5978
DOI: 10.1021/jacs.1c01801

Ultralow Lattice Thermal Conductivity and Extraordinary Thermoelectric Performance in Highly Disordered CuIn7Se11 Layered Compound

Zhen Yang, Peng Zi, Keke Liu, Hao Luo, Hui Bai, Shuo Chen, Jinsong Wu, Xianli Su, Ctirad Uher, Qingjie Zhang and Xinfeng Tang

Adv Funct Materials, 2024, 34
DOI: 10.1002/adfm.202306849

Resonant energy level and ferromagnetic ordering lead to high average ZT in N-type PbSe thermoelectrics

Dezheng Gao, Yi Wen, Shulin Bai, Ziheng Liu, Siqi Wang, Yichen Li, Yixuan Hu, Shibo Liu, Pengpeng Chen, Yi Yue, Xiang Gao, Yangkun He, Hongyao Xie and Li-Dong Zhao

Acta Materialia, 2026, 311, 122202
DOI: 10.1016/j.actamat.2026.122202

Weak-Bonding Elements Lead to High Thermoelectric Performance in BaSnS3 and SrSnS3: A First-Principles Study

Zhi Li, Hongyao Xie, Yi Xia, Shiqiang Hao, Koushik Pal, Mercouri G. Kanatzidis, Christopher Wolverton and Xinfeng Tang

Chem. Mater., 2022, 34, 1289
DOI: 10.1021/acs.chemmater.1c03987

Off-centering thermoelectrics

Chenghao Xie, Xinfeng Tang and Gangjian Tan

Next Materials, 2023, 1, 100048
DOI: 10.1016/j.nxmate.2023.100048

High-entropy thermoelectric materials

Qiqi Tang, Binbin Jiang, Keli Wang, Wu Wang, Baohai Jia, Tianpeng Ding, Zhenlong Huang, Yuan Lin and Jiaqing He

Joule, 2024, 8, 1641
DOI: 10.1016/j.joule.2024.04.012

Second Phases and Dislocations to Boost the Thermoelectric Properties of CuInTe2 by Sb Doping at In Site

Erkuo Yang, Lifeng Yu, Guangshu Li, Wen Zhang, Xinghui Wang, Rongchun Chen, Huijun Kang, Zongning Chen, Enyu Guo and Tongmin Wang

Chem. Mater., 2024
DOI: 10.1021/acs.chemmater.4c01427

Intrinsic Off-Centering and Light Conduction Band Structure Lead to High Thermoelectric Performance in N-Type Diamondoid AgInSe2

Jingyi Su, Yukun Liu, Yichen Li, Shulin Bai, Dezheng Gao, Pengpeng Chen, Zihao Zhao, Vinayak P. Dravid, Hongyao Xie, Li-Dong Zhao and Mercouri G. Kanatzidis

J. Am. Chem. Soc., 2025, 147, 16611
DOI: 10.1021/jacs.5c04294

Lattice Plainification Leads to High Thermoelectric Cooling Performance in Physically Vapor‐Deposited N‐Type PbSe Crystal

Zhiyao Zhang, Zhan Si, Yuxiang Wei, Yi Wen, Jiankun Kang, Pengpeng Chen, Yichen Li, Yixuan Hu, Jiayi Peng, Yang Jin, Shibo Liu, Haonan Shi, Xiang Gao, Dezheng Gao, Hongyao Xie and Li‐Dong Zhao

Advanced Energy Materials, 2025, 15
DOI: 10.1002/aenm.202501184

Phonon Scattering by Local Off‐Centering in Diamond‐Like Cu2−XAgxIn2Se4 Chalcopyrites: High Carrier Mobility and Ultralow Thermal Conductivity

Irene Caro‐Campos, Victor Posligua, Jesús Prado‐Gonjal, Oscar J. Dura, Norbert M. Nemes, Javier Gainza, José L. Martínez, José A. Alonso, Antonio M. Márquez, José J. Plata and Federico Serrano‐Sanchez

Small Structures, 2026, 7
DOI: 10.1002/sstr.202500800

Lattice dynamics and thermoelectric properties of diamondoid materials

Hongyao Xie, Li‐Dong Zhao and Mercouri G. Kanatzidis

Interdisciplinary Materials, 2024, 3, 5
DOI: 10.1002/idm2.12134

Synergistically Optimizing Electrical and Thermal Transport Properties of ZrCoSb through Ru Doping

Shuai Liu, Yao Hu, Shengnan Dai, Zirui Dong, Guoqiang Wu, Jiong Yang and Jun Luo

ACS Appl. Energy Mater., 2021, 4, 13997
DOI: 10.1021/acsaem.1c02802

Enhanced Thermoelectric Performance and Low Thermal Conductivity in Cu2GeTe3 with Identified Localized Symmetry Breakdown

Feiyu Qin, Lei Hu, Yingcai Zhu, Yushan Li, Haitao Wang, Haijun Wu, Jun Peng, Wen Shi, Umut Aydemir and Xiangdong Ding

Inorg. Chem., 2023, 62, 7273
DOI: 10.1021/acs.inorgchem.3c00350

Novel Janus 2H-Tl2SSe Monolayer with Ultralow Lattice Thermal Conductivity and Outstanding Thermoelectric Performance

Lei Yang, Yu-Lu Wan, Cui-E Hu, Hua-Yun Geng and Xiang-Rong Chen

J. Phys. Chem. C, 2024, 128, 16930
DOI: 10.1021/acs.jpcc.4c05100

Incommensurately Modulated Structure in AgCuSe‐Based Thermoelectric Materials for Intriguing Electrical, Thermal, and Mechanical Properties

Qingyu Yang, Chen Ming, Pengfei Qiu, Zhengyang Zhou, Xianxiu Qiu, Zhiqiang Gao, Tingting Deng, Lidong Chen and Xun Shi

Small, 2023, 19
DOI: 10.1002/smll.202300699

Mismatched atomic bonds and ultralow thermal conductivity in Ag-based ternary chalcopyrites

Ruoyu Wang, Jianfeng Cai, Qiang Zhang, Xiaojian Tan, Jiehua Wu, Guoqiang Liu and Jun Jiang

Phys. Rev. B, 2023, 107
DOI: 10.1103/PhysRevB.107.115202

High Entropy Semiconductor AgMnGeSbTe4 with Desirable Thermoelectric Performance

Zheng Ma, Tian Xu, Wang Li, Yiming Cheng, Jinmeng Li, Dan Zhang, Qinghui Jiang, Yubo Luo and Junyou Yang

Adv Funct Materials, 2021, 31
DOI: 10.1002/adfm.202103197

Lone-Pair-Like Interaction and Bonding Inhomogeneity Induce Ultralow Lattice Thermal Conductivity in Filled β-Manganese-Type Phases

Oleksandr Cherniushok, Raul Cardoso-Gil, Taras Parashchuk, Rafal Knura, Yuri Grin and Krzysztof T. Wojciechowski

Chem. Mater., 2022, 34, 6389
DOI: 10.1021/acs.chemmater.2c00915

Robustly Boosting Thermoelectric Performance of N‐Type PbSe via Lattice Plainification and Dynamic Doping

Dezheng Gao, Yi Wen, Shulin Bai, Siqi Wang, Shibo Liu, Yichen Li, Lei Wang, Wujing Zang, Xianli Su, Xiang Gao, Hongyao Xie and Li‐Dong Zhao

Small, 2024, 20
DOI: 10.1002/smll.202407556

Thermoelectricity in Ag/Cu-based complex crystal structure minerals with inherent low thermal conductivity

Kewal Singh Rana and Ajay Soni

Oxford Open Materials Science, 2023, 3
DOI: 10.1093/oxfmat/itad005

Realizing High ZTave in N‐Type Diamondoid AgInSe2 Thermoelectrics via Lone‐Pair Electrons and Isomorphous Alloy

Yichen Li, Jingyi Su, Yi Wen, Dezheng Gao, Pengpeng Chen, Zihao Zhao, Tian Gao, Siqi Wang, Shan Liu, Yixuan Hu, Dongrui Liu, Xiang Gao, Hongyao Xie and Li‐Dong Zhao

Small, 2025, 21
DOI: 10.1002/smll.202506188

Dual-Antisite Defects and Domain Structures Synergistically Boosting a Record-High ZT > 2.0 in Chalcopyrite Cu0.7Ag0.3Ga1–xInxTe2(x = 0–0.5)

Ting Xu, Wei Bai, Mi Qin, LuLu Huang, Yu Liu, Shenghui Wang, Zhou Li, Zhixiang Yuan, Hongxing Xin, Di Li, Zhulin Huang, Ping Chen, Xiaobing Liu, Yongsheng Zhang, Chong Xiao, Jian Zhang and Yi Xie

J. Am. Chem. Soc., 2026, 148, 12343
DOI: 10.1021/jacs.6c02266

Quasi-random distribution of distorted nanostructures enhances thermoelectric performance of high-entropy chalcopyrite

Somnath Acharya, Junphil Hwang, Kwangrae Kim, Jungwon Kim, Woohyun Hwang, Aloysius Soon and Woochul Kim

Nano Energy, 2023, 112, 108493
DOI: 10.1016/j.nanoen.2023.108493

Conduction band convergence and local structure distortion for superior thermoelectric performance of GaSb-doped n-type PbSe thermoelectrics

Jing Zhou, Hong-Hua Cui, Yukun Liu, Hongwei Ming, Yan Yu, Vinayak P. Dravid, Zhong-Zhen Luo, Qingyu Yan, Zhigang Zou and Mercouri G. Kanatzidis

Nat Commun, 2025, 16
DOI: 10.1038/s41467-025-60571-1

Role of lattice thermal conductivity in thermoelectric properties of chalcopyrite-type antimonides XSiSb2 (X = Mg, Be): A DFT insight

Prakash Govindaraj, Kowsalya Murugan and Kathirvel Venugopal

Materials Chemistry and Physics, 2023, 295, 127190
DOI: 10.1016/j.matchemphys.2022.127190

Realizing high thermoelectric performance and thermal stability in CuInTe2 through heavy dose Mg doping

Qihong Xiong, Hong Wu, Kaiqi Zhang, Guiwen Wang, Sikang Zheng, Yajie Feng, Shuai Wu, Bin Zhang, Guang Han, Guoyu Wang, Xiaoyuan Zhou and Xu Lu

Acta Materialia, 2024, 278, 120268
DOI: 10.1016/j.actamat.2024.120268

Discordant Distortion in Cubic GeMnTe2 and High Thermoelectric Properties of GeMnTe2-x%SbTe

Jinfeng Dong, Yilin Jiang, Yandong Sun, Jue Liu, Jun Pei, Wei Li, Xian Yi Tan, Lei Hu, Ning Jia, Ben Xu, Qian Li, Jing-Feng Li, Qingyu Yan and Mercouri G. Kanatzidis

J. Am. Chem. Soc., 2023, 145, 1988
DOI: 10.1021/jacs.2c12877

Recent Progress on Diamondoid Cu2SnSe3 Thermoelectric Materials: A Review

Pengpeng Chen, Hongyao Xie and Li-Dong Zhao

Acta Metall. Sin. (Engl. Lett.), 2025, 38, 707
DOI: 10.1007/s40195-024-01798-7

Ultra-low thermal conductivity and high zT in multi-doped AgInSe2: A high-entropy approach to n-type thermoelectric materials

Somnath Acharya, Sungjin Park, Kisung Kang, Woosun Jang, Yonas Shasho, Jeongwon Lee, Yousung Choi, Junphil Hwang, Changhoon Lee, Yunseok Shin, Ji Hoon Shim, Soonil Lee, Jongho Park and Woochul Kim

Nano Energy, 2025, 146, 111491
DOI: 10.1016/j.nanoen.2025.111491

Aluminum-doped zinc oxide–coated 3D spacer fabrics with electroless plated copper contacts for textile thermoelectric generators

G. Schmidl, G. Jia, A. Gawlik, G. Andrä, K. Richter and J. Plentz

Materials Today Energy, 2021, 21, 100811
DOI: 10.1016/j.mtener.2021.100811

Enhanced Thermoelectric Properties of Cu2SnSe3-Based Materials with Ag2Se Addition

Xin Cheng, Bo Zhu, Dongwang Yang, Xianli Su, Wei Liu, Hongyao Xie, Yun Zheng and Xinfeng Tang

ACS Appl. Mater. Interfaces, 2022, 14, 5439
DOI: 10.1021/acsami.1c22590

Hidden Local Symmetry Breaking in Silver Diamondoid Compounds is Root Cause of Ultralow Thermal Conductivity

Hongyao Xie, Emil S. Bozin, Zhi Li, Milinda Abeykoon, Soham Banerjee, James P. Male, G. Jeffrey Snyder, Christopher Wolverton, Simon J. L. Billinge and Mercouri G. Kanatzidis

Advanced Materials, 2022, 34
DOI: 10.1002/adma.202202255

Cubic AgMnSbTe3 Semiconductor with a High Thermoelectric Performance

Yubo Luo, Tian Xu, Zheng Ma, Dan Zhang, Zhongnan Guo, Qinghui Jiang, Junyou Yang, Qingyu Yan and Mercouri G. Kanatzidis

J. Am. Chem. Soc., 2021, 143, 13990
DOI: 10.1021/jacs.1c07522

The New Cubic Argyrodites: Ag4M0.5S2Te (M = Sn and Ge) with Ultralow Thermal Conductivity

Ya Yang, Liling Yuan, Zixuan Chen, Weiping Guo, Yunpeng Zheng, Hongwei Ming, Naifeng Zhuang, Zhong‐Zhen Luo and Zhigang Zou

Adv Funct Materials, 2025, 35
DOI: 10.1002/adfm.202501431

High Thermoelectric Performance through Crystal Symmetry Enhancement in Triply Doped Diamondoid Compound Cu2SnSe3

Lei Hu, Yubo Luo, Yue‐Wen Fang, Feiyu Qin, Xun Cao, Hongyao Xie, Jiawei Liu, Jinfeng Dong, Andrea Sanson, Marco Giarola, Xianyi Tan, Yun Zheng, Ady Suwardi, Yizhong Huang, Kedar Hippalgaonkar, Jiaqing He, Wenqing Zhang, Jianwei Xu, Qingyu Yan and Mercouri G. Kanatzidis

Advanced Energy Materials, 2021, 11
DOI: 10.1002/aenm.202100661

Low-Angle Grain Boundary Enabled by Pressure for Enhanced Thermoelectric Performance in Chalcopyrite CuInTe2-Based Alloys

Jiaman Wei, Yi Wu, Wei Yu, Xue Wang, Jiaxin Hu, Zhijian Li and Xin Guo

ACS Sustainable Chem. Eng., 2026
DOI: 10.1021/acssuschemeng.6c00466

Reduced multiplicity of crystallographic sites for superior thermoelectric performance of cubic Cu 6 GeTeS 4 via chemical tailoring

Ya Yang, Ying Zhang, Zixuan Chen, Pengju Han, Shuailiang Chen, Chong Hua, Yunpeng Zheng, Hongwei Ming, Naifeng Zhuang, Zhong-Zhen Luo and Zhigang Zou

Sci. Adv., 2026, 12
DOI: 10.1126/sciadv.aec9220

AgCl Addition to Chalcopyrite Compound for Ultra-Low Thermal Conductivity in Realizing High ZT Thermoelectric Materials

Zipei Zhang, Sitong Luo, Lu Yu, Sitong Wei, Zhen Ji, Wenhao Li, Lay Kee Ang and Shuqi Zheng

ACS Appl. Mater. Interfaces, 2023, 15, 35178
DOI: 10.1021/acsami.3c05929

Cu-based thermoelectrics: Frontiers, challenges, and prospects

Nan-Hai Li, Xiao-Lei Shi, Dong-Chen Qi and Zhi-Gang Chen

Progress in Materials Science, 2026, 161, 101712
DOI: 10.1016/j.pmatsci.2026.101712