本人主要从事以第一性原理计算及电热输运理论为基础的理论工作，利用多学科优势（物理、化学、材料、信息科学）理解千变万化的材料世界。具体研究内容涉及电热输运微观物理、电声相互作用及其材料运用、高通量计算、机器学习方法的发展与材料应用，高性能热电材料设计，以及相变热力学等。截止2023年6月，在J. Am. Chem. Soc., Energy. Environ. Sci., Adv. Mater., NPJ Comp. Mater., J. Mater. Chem. A，Nat. Commun.等SCI刊物上发表论文170余篇。总引用数8000余次，H因子47，并发表国际热电专著一章。在APS、PACRIM、TMS、ICT等国际会议上做邀请报告9次。
完整文章列表请见：https://www.webofscience.com/wos/author/record/K-6330-2014
近5年来代表性工作：
v Shengnan Dai, Jinyan Ning*, Jinyang Xi*, Jiong Yang*, et al., Materials Today Physics, 31, 100993, 2023 v Jialin Ji, Jiong Yang*, and Wenqing Zhang*, Journal of the American Chemical Society, 144, 18552-18561, 2022 v Huifang Luo, Xin Li*, Jiong Yang*, et al., NPJ Computational Materials, 8, 199, 2022 v Ni Ma#, Zhou Zhang#, Pengfei Nan#, Jiong Yang*, Chong Xiao*, et al., Advanced Materials, 34, 2202677, 2022 v Yan Cao, Lili Xi*, Jiong Yang*, et al., Journal of Materials Chemistry A, 10, 1039-11045, 2022 v Yifei Xiong, Pengfei Qiu*, Jiong Yang*, Xun Shi*, et al, Journal of the American Chemical Society, 144, 8030-8037, 2022 v Jinyang Xi, Zhenyu Zhu, Lili Xi, and Jiong Yang*, Applied Physics Letters, 120, 190503, 2022 v Zhou Zhang, Jiong Yang*, et al., Materials Today Physics, 25, 100702, 2022 v Hongliang Yang, Jiong Yang*, Wenqing Zhang*, et al., Physical Review B, 104, 094310, 2021 v Ye Sheng, Jinyang Xi*, Yuexing Han*, Jiong Yang*, et al., Chemistry of Materials, 33, 6918-6924, 2021 v Mingjia Yao, Jiong Yang*, et al., Scientific Data, 8, 236, 2021 v Ziyu Wang, Jinyang Xi*, Jiong Yang*, Wenqing Zhang*, et al., Chemistry of Materials, 33, 1046-1052, 2021 v Jincheng Ding, Jinyang Xi*, Jiong Yang*, et al., Journal of Materiomics, 7, 310-319, 2021 v Xin Li, Jiong Yang*, et al., Computational Materials Science, 186, 110074, 2021 v Yifan Zhu, Jiong Yang*, Chenguang Fu*, Wenqing Zhang*, et al., Research, 2020, 4589786, 2020 v Ye Sheng, Jiong Yang*, Wenqing Zhang*, et al., NPJ Computational Materials, 6, 171, 2020 v Yiming Zhang, Ziyu Wang, Jinyang Xi*, Jiong Yang*, Journal of Physics: Condensed Matter, 32, 475503, 2020 v Xin Li, Jiong Yang*, Wenqing Zhang*, et al., NPJ Computational Materials, 6, 107, 2020 v Qingyong Ren, Chenguang Fu*, Jiong Yang*, Jie Ma*, et al., Nat. Commun. , 11, 3142, 2020 v Bo Liu, Jiong Yang*, et al., J. Mater. Chem. A, 7, 19961, 2019 v X. Sun, Jiong Yang*, R. Dronskowski, et al., J. Comput. Chem., 40, 1693, 2019 v Y. Liu, J. Yang*, et al., Materials Research Letters, 7, 145, 2019 v L. Xi, Jiong Yang*, et al., J. Am. Chem. Soc. 140, 10785-10793, 2018 v L. You, Jiong Yang*, J. Zhang, J. Luo, et al., Energy Environ. Sci. 11, 1848, 2018
软件： TransOpt，基于VASP电子结构计算与跃迁矩阵元方法处理电输运，有效避免”能带交叉”问题。同时在电子驰豫时间上考虑了常数电声耦合近似、形变势方法以及电离杂质散射等方法。https://github.com/yangjio4849/TransOpt.git
MatHub第一性原理计算数据库： 三维体系 www.mathub3d.net 二维体系 www.mathub2d.net |