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RESEARCH PAPER · ACS Applied Materials & Interfaces · 2024

Ultralow Glassy Thermal Conductivity and Controllable, Promising Thermoelectric Properties in Crystalline o-CsCu5S3

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Ultralow Glassy Thermal Conductivity and Controllable, Promising Thermoelectric Properties in Crystalline o-CsCu5S3OriginalThe thermal transport, mechanical, and optical properties of T-Cu6S2: The influence of Cu6 clusters6Influence of quartic anharmonicity on lattice dynamics and thermal transport properties of 16 antifluorite structures24Insight into Janus V 2 COS as anode material of high-performance alkali metal ion battery: Diffusion barrier, recyclability, specific capacity, and open-circuit voltage9Machine Learning for Predicting Ultralow Thermal Conductivity and High ZT in Complex Thermoelectric Materials23Comparison of ultra-low lattice thermal conductivity of the full-Heusler compound Li2Rb(Cs)Bi after considering strong quartic anharmonicity8Pressure-induced extreme anisotropic behavior of thermoelectric properties in crystalline β-CuSCN1Interlayer thermal transport and glasslike behavior in crystalline CsCu 4 Se 317Impact of lattice distortions and overdamped vibrations on the structural properties and thermal transport of strongly anharmonic AgSnSbTe 3 crystals17Bidirectional optimization of transport properties for thermoelectric performance via hydrostatic pressure in chalcopyrite Ag X Te 2 ( X = In , Ga )7First-principles investigation of the high-temperature thermoelectric performance of bulk TlX (X = Se, S) monochalcogenides for energy conversion applications8Anharmonic Phonon Renormalization Enhances Lattice Thermal Conductivity in LiMgVO 41Anomalous suppression of thermal conductivity in SnSe induced by aliovalent doping1Revisiting the mechanisms of thermal transport in vacancy-defective silicon1Geometric configuration of polyhedrons dominating particle- to wave-like thermal transport in single crystalline Cs3Bi2I95Strong anharmonicity guided weaker temperature-dependent phonon transport in CaSn S 3 : A chalcogen perovskite showing wavelike phonon tunneling2Layered Alkali-Copper Selenides: Deciphering Thermoelectric Properties and Reaction Pathways for Nanostructuring β-CsCu 5 Se 31First-principles investigation of synergistic rattling and delocalization effects on ultralow lattice thermal conductivity and thermoelectric performance in Zintl phase RbSnSb0Machine Learning Discovery of Record‐Low Lattice Thermal Conductivity in Double Perovskites7From lone-pair electrons to dual phonon channels: unraveling Te-dominated transport in monolayer Sb 2 Te 31Particlelike and wavelike behavior of phonons in Cs 2 AgIn X 6 ( X = Cl , Br ) perovskites: How rattling vibrations and octahedral rotations govern thermal transport0Anharmonicity Driven by Vacancy Ordering Unlocks High-Performance Thermoelectric Conversion in Defective Chalcopyrites II-III 2 -VI 40Interplay between anharmonic lattice dynamics and bipolar-transport-driven anomalous transport in Zintl phase K X Sb ( X = Ge , Sn , Pb )0Compression-induced anomalous thermal transport in the giant negative thermal expansion material NaB(CN) 40

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  1. The thermal transport, mechanical, and optical properties of T-Cu6S2: The influence of Cu6 clusters

    Surfaces and Interfaces · 2024-07-03

    Siyu Gan, Pan Zhang, Longji Luo, Jialu Li, Xihao Chen, Guangzhao Wang, Ning Wang

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  2. Influence of quartic anharmonicity on lattice dynamics and thermal transport properties of 16 antifluorite structures

    Physical review. B./Physical review. B · 2024-07-08

    Xingzhu Yuan, Yinchang Zhao, Yuming Sun, Jun Ni, Zhenhong Dai

    Read original paper ↗ ·
  3. Insight into Janus V 2 COS as anode material of high-performance alkali metal ion battery: Diffusion barrier, recyclability, specific capacity, and open-circuit voltage

    Physical Review Materials · 2024-08-05

    Fuqiong Wang, Jun Tang Yuan, Zhufeng Zhang, Baoan Song, Junhua Zhao, Jincheng Yue, Tian Xu, Jun Zhou

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  4. Machine Learning for Predicting Ultralow Thermal Conductivity and High ZT in Complex Thermoelectric Materials

    ACS Applied Materials & Interfaces · 2024-09-02

    Yuzhou Hao, Yuting Zuo, Jiongzhi Zheng, Wenjie Hou, Hong Gu, Xiaoying Wang, Xuejie Li, Jun Sun, Xiangdong Ding, Zhibin Gao

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  5. Comparison of ultra-low lattice thermal conductivity of the full-Heusler compound Li2Rb(Cs)Bi after considering strong quartic anharmonicity

    Journal of Applied Physics · 2024-09-09

    Qian Guo, Yinchang Zhao, Yuming Sun, Jun Ni, Zhenhong Dai

    Read original paper ↗ ·
  6. Pressure-induced extreme anisotropic behavior of thermoelectric properties in crystalline β-CuSCN

    Journal of Alloys and Compounds · 2024-09-25

    Hui Zhang, Jincheng Yue, Shuailing Ma, Siqi Guo, Ning Wang, Junda Li, Chen Shen, Yanhui Liu, Tian Shu Cui

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  7. Interlayer thermal transport and glasslike behavior in crystalline CsCu 4 Se 3

    Physical review. B./Physical review. B · 2025-01-24

    Jincheng Yue, Yanhui Liu, Jiongzhi Zheng

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  8. Impact of lattice distortions and overdamped vibrations on the structural properties and thermal transport of strongly anharmonic AgSnSbTe 3 crystals

    Physical review. B./Physical review. B · 2025-05-05

    Xiao Feng, Qing-Yu Xie, Ru Yu, Huashan Li, Junrong Zhang, Bao‐Tian Wang

    Read original paper ↗ ·
  9. Bidirectional optimization of transport properties for thermoelectric performance via hydrostatic pressure in chalcopyrite Ag X Te 2 ( X = In , Ga )

    Physical review. B./Physical review. B · 2025-05-12

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

    Read original paper ↗ ·
  10. First-principles investigation of the high-temperature thermoelectric performance of bulk TlX (X = Se, S) monochalcogenides for energy conversion applications

    Solid State Communications · 2025-09-12

    Mounaim Bencheikh, Zakariae Darhi, Larbi El Farh

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  11. Anharmonic Phonon Renormalization Enhances Lattice Thermal Conductivity in LiMgVO 4

    The Journal of Physical Chemistry C · 2025-09-16

    Dongmei Li, Yu Sun, Jiali Yang, Xianyong Ding, Peng Yu, Xuewei Lv, Jian Xin, Xiaozhi Wu, Haoran Wei, Dapeng Zhong, Xin Jin

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  12. Anomalous suppression of thermal conductivity in SnSe induced by aliovalent doping

    Physical review. B./Physical review. B · 2025-09-25

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

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  13. Revisiting the mechanisms of thermal transport in vacancy-defective silicon

    Physical review. B./Physical review. B · 2025-10-24

    Xueyan Zhu, Jin Yang, Junichiro Shiomi, Cheng Shao

    Read original paper ↗ ·
  14. Geometric configuration of polyhedrons dominating particle- to wave-like thermal transport in single crystalline Cs3Bi2I9

    National Science Open · 2025-10-30

    Linjie Wu, Zhiwei Chen, Qingyu Bai, Ziyue Liu, Yueyue Cheng, Te Kang, Changyuan Li, Hui Bu, Jun Luo, Yanzhong Pei

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  15. Strong anharmonicity guided weaker temperature-dependent phonon transport in CaSn S 3 : A chalcogen perovskite showing wavelike phonon tunneling

    Physical review. B./Physical review. B · 2025-12-02

    Surbhi Ramawat, Sumit Kukreti, Ambesh Dixit

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  16. Layered Alkali-Copper Selenides: Deciphering Thermoelectric Properties and Reaction Pathways for Nanostructuring β-CsCu 5 Se 3

    ACS Energy Letters · 2025-12-12

    Niraj Nitish Patil, Ruiqi Wu, Christine Fiedler, Nilotpal Kapuria, Bingfei Nan, Navita Jakhar, Andreu Cabot, María Ibáñez, Kevin Michael Ryan, Alex M. Ganose, Shalini Singh

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  17. First-principles investigation of synergistic rattling and delocalization effects on ultralow lattice thermal conductivity and thermoelectric performance in Zintl phase RbSnSb

    Physical review. B./Physical review. B · 2026-01-30

    Jiawei Cui, Yinchang Zhao, Pengfei Sui, Jun Ni, Zhenhong Dai

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  18. Machine Learning Discovery of Record‐Low Lattice Thermal Conductivity in Double Perovskites

    Advanced Science · 2026-02-17

    Md Zaibul Anam, Alejandro David Rodriguez, Riccardo Rurali, Ming Hu

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  19. From lone-pair electrons to dual phonon channels: unraveling Te-dominated transport in monolayer Sb 2 Te 3

    New Journal of Physics · 2026-05-01

    Kai Wu, Ran Zhou, Hongliang Shi, Yifeng Duan

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  20. Particlelike and wavelike behavior of phonons in Cs 2 AgIn X 6 ( X = Cl , Br ) perovskites: How rattling vibrations and octahedral rotations govern thermal transport

    Physical review. B./Physical review. B · 2026-07-10

    Anonymous, Hongliang Shi, Yifeng Duan

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  21. Anharmonicity Driven by Vacancy Ordering Unlocks High-Performance Thermoelectric Conversion in Defective Chalcopyrites II-III 2 -VI 4

    Chinese Physics Letters · 2026-07-23

    Hui Zhang, Jincheng Yue, Jiongzhi Zheng, Ning Wang, Wenling Ren, Shuyao Lin, Chen Shen, Hao Gao, Yanhui Liu, Yue‐Wen Fang, Tian Cui

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  22. Interplay between anharmonic lattice dynamics and bipolar-transport-driven anomalous transport in Zintl phase K X Sb ( X = Ge , Sn , Pb )

    Physical Review Materials · 2026-08-24

    Wenzhe Xue, Yinchang Zhao, Xichang Wang, Jun Ni, Zhenhong Dai

    Read original paper ↗ ·
  23. Compression-induced anomalous thermal transport in the giant negative thermal expansion material NaB(CN) 4

    Physical review. B./Physical review. B · 2026-08-31

    Yijing Zuo, Wei Cao, Yuxuan Zeng, Zhaofu Zhang, Fang Lyu, Yue Hou, Ling Miao, Ziyu Wang

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