近5年代表性工作: 1. Yasong Wu, Lu Liu, Jinyan Ning, Di Qiu*, Shenghao Wang, Jinyang Xi*, and Jiong Yang*, “Diverse carrier mobilities in halide perovskites: The role of conductive network and ionized impurity scattering”, Journal of Materials Science & Technology, 204, 245-254, 2025 2. Qinghang Tang, Shihao Han, Mingjia Yao, David J. Singh, Jinyang Xi, Huijun Liu*, and Jiong Yang*, “Enhancing the electrical transport properties of two-dimensional semiconductors through interlayer interactions”, Energy & Environmental Science, 17, 611, 2024 3. Wei Bai#, Yang Hua#, Pengfei Nan#, Shengnan Dai#, Liang Sun, Xinlong Huang, Jiong Yang*, Binghui Ge*, Chong Xiao*, and Yi Xie, “Interlayer Phonon Coupling from Heavy and Light Sublayers in a Natural Van der Waals Superlattice”, Journal of the American Chemical Society, 146, 892-900, 2024 4. Shen Han#, Shengnan Dai#, Jie Ma#, Qingyong Ren, Chaoliang Hu, Ziheng Gao, Manh Duc Le, Denis Sheptyakov, Ping Miao, Shuki Torii, Takashi Kamiyama, Claudia Felser, Jiong Yang*, Chenguang Fu*, and Tiejun Zhu*, “Strong phonon softening and avoided crossing in aliovalence-doped heavy-band thermoelectrics”, Nature Physics 19, 1649-1657, 2023 5. Yeqing Jin, Xiangdong Wang, Mingjia Yao, Di Qiu, David J. Singh, Jinyang Xi, Jiong Yang*, and Lili Xi*, “High-throughput deformation potential and electrical transport calculations”, NPJ Comput. Mater. 9, 190, 2023 6. Yifan Zhu, Erting Dong, Hongliang Yang, Lili Xi, Jiong Yang*, and Wenqing Zhang*, “Atomic potential energy uncertainty in machine-learning interatomic potentials and thermal transport in solids with atomic diffusion”, Physical Review B 108, 014108, 2023 7. Yang Hua, Wei Bai, Shengnan Dai, Rongjie He, Pengfei Nan, Liang Sun, Jiong Yang*, Bo Sun*, Binghui Ge*, Chong Xiao*, and Yi Xie, “Maldistribution of Chemical Bond Strength Inducing Exceptional Anisotropy of Thermal Conductivity in Non-Layered Materials”, Angewandte Chemie International Edition 62, e202303081, 2023 8. Mingjia Yao, Jialin Ji, Xin Li, Zhenyu Zhu, Jun-Yi Ge, David J. Singh, Jinyang Xi*, Jiong Yang*, and Wenqing Zhang*, “MatHub-2d: A database for transport in 2D materials and a demonstration of high-throughput computational screening for high-mobility 2D semiconducting materials”, Science China Materials 66, 2768-2776, 2023 9. Shengnan Dai, Changdong Liu, Jinyan Ning*, Chenguang Fu, Jinyang Xi*, Jiong Yang*, and Wenqing Zhang, “Revealing the decisive factors of the lattice thermal conductivity reduction by electron-phonon interactions in half-Heusler semiconductors”, Materials Today Physics, 31, 100993, 2023 10. Jianxin Zhang, Zhou Zhang, Lili Xi*, Jinyang Xi, Jiong Yang*, “Intrinsic defects and the influences on electrical transport properties in quaternary diamond-like compounds: Cd2Cu3In3Te8 as an example”, Journal of Materiomics 8, 1222-1229, 2022 11. Jialin Ji, Qinghang Tang, Mingjia Yao, Hongliang Yang, Yeqing Jin, Yubo Zhang, Jinyang Xi, David J. Singh, Jiong Yang*, and Wenqing Zhang*, “Functional-Unit-Based Material Design: Ultralow Thermal Conductivity in Thermoelectrics with Linear Triatomic Resonant Bonds”, Journal of the American Chemical Society, 144, 18552-18561, 2022 12. Yifei Xiong, Yeqing Jin, Tingting Deng, Kaili Mei, Pengfei Qiu*, Lili Xi, Zhengyang Zhou, Jiong Yang*, Xun Shi*, and Lidong Chen, “High-Throughput Screening for Thermoelectric Semiconductors with Desired Conduction Types by Energy Positions of Band Edges”, Journal of the American Chemical Society, 144, 8030-8037, 2022 13. Hongliang Yang, Yifan Zhu, Erting Dong, Yabei Wu, Jiong Yang*, and Wenqing Zhang*, “Dual adaptive sampling and machine learning interatomic potentials for modeling materials with chemical bond hierarchy”, Physical Review B, 104, 094310, 2021 14. Ye Sheng#, Tingting Deng#, Pengfei Qiu, Xun Shi, Jinyang Xi*, Yuexing Han*, and Jiong Yang*, “Accelerating the Discovery of Cu-Sn-S Thermoelectric Compounds via High-Throughput Synthesis, Characterization, and Machine Learning-Assisted Image Analysis”, Chemistry of Materials, 33, 6918-6924, 2021 15. Mingjia Yao#, Yuxiang Wang#, Xin Li, Ye Sheng, Haiyang Huo, Lili Xi, Jiong Yang*, and Wenqing Zhang, “Materials informatics platform with three dimensional structures, workflow and thermoelectric applications”, Scientific Data, 8, 236, 2021 16. Xin Li, Zhou Zhang, Jinyang Xi, David J. Singh, Ye Sheng, Jiong Yang*, and Wenqing Zhang, “TransOpt. A code to solve electrical transport properties of semiconductors in constant electron-phonon coupling approximation”, Computational Materials Science, 186, 110074, 2021 |