Resume:

Yi-Yang Sun received his B.Eng. from Jilin University (1996), M.Sc. from Xiamen University (1999), and Ph.D. in physics from National University of Singapore (NUS, 2004). He has worked as a postdoc at NUS, National Renewable Energy Laboratory (NREL) and Rensselaer Polytechnic Institute (RPI), USA. In 2010, he was appointed Research Assistant Professor and later Research Scientist at RPI. In 2017, he assumed Professor position at Shanghai Institute of Ceramics, Chinese Academy of Sciences (SICCAS). Since then, he has been working on first-principles study of inorganic non-metallic functional materials.

Selected publications at SICCAS: 

(18) Jun Chai, Chen Ming, Yi-Yang Sun^*, “Decomposed defect formation energy for analysis of doping process: The case of n-type and p-type doping of β-FeSi₂”, Appl. Phys. Lett. 123, 252103 (2023).

(17) Xiang Zhang, Zichun Zhou, Chen Ming, Yi-Yang Sun^*, “GPT-Assisted Learning of Structure-Property Relationships by Graph Neural Networks: Application to Rare-Earth-Doped Phosphors”, J. Phys. Chem. Lett. 14, 11342 (2023).

(16) Hexige Wuliji, Yupeng Ma, Heyang Chen, Tian-Ran Wei, Kunpeng Zhao^*, Yi-Yang Sun^*, Xun Shi, “Dynamical approach to the atomic and electronic structures of the ductile semiconductor Ag₂S”, J. Chem. Phys. 158, 244109 (2023).

(15) Li Xie, Chen Ming, Qingfeng Song, Chao Wang, Jincheng Liao, Lei Wang, Chenxi Zhu, Fangfang Xu, Yi-Yang Sun^*, Shengqiang Bai^*, Lidong Chen, “Lead-free and scalable GeTe-based thermoelectric module with an efficiency of 12%”, Sci. Adv. 9, eadg7919 (2023).

(14) Jing Shi, Aming Lin, Xiaowei Wu, Su-Huai Wei^*, Yi-Yang Sun^*, “First-principles study of the distribution of excess intercalated lithium in Li₃V₂O₅ with a disordered rock-salt structure”, J. Mater. Chem. A 11, 14819 (2023).

(13) Han Zhang, Xiaowei Wu, Keda Ding, Li Xie, Ke Yang, Chen Ming, Shengqiang Bai, Hao Zeng, Shengbai Zhang, Yi-Yang Sun^*, “Prediction and Synthesis of a Selenide Perovskite for Optoelectronics”, Chem. Mater. 35, 4128 (2023).

(12) Chen Ming, Zhizhong Chen, Fan Zhang, Shuiping Gong, Xiaowei Wu, Jie Jiang, Tang Ye, Qing Xu, Ke Yang, Liang Wang, Xun Cao, Songwang Yang^*, Shengbai Zhang, Yong Zhang^*, Jian Shi^*, and Yi-Yang Sun^*, “Mixed Chalcogenide‐Halides for Stable, Lead‐Free and Defect‐Tolerant Photovoltaics: Computational Screening and Experimental Validation of CuBiSCl₂ with Ideal Band Gap”, Adv. Funct. Mater. 32, 2112682 (2022).

(11) Pengfei Qiu, Jun Cheng, Jun Chai, Xiaolong Du, Xugui Xia, Chen Ming, Chenxi Zhu, Jiong Yang, Yi-Yang Sun^*, Fangfang Xu, Xu Shi^*, and Lidong Chen^*, “Exceptionally Heavy Doping Boosts the Performance of Iron Silicide for Refractory Thermoelectrics”, Adv. Energy Mater. 12, 2200247 (2022).

(10) Xiaowei Wu, Chen Ming, Jing Shi, Han Wang, Damien West, Shengbai Zhang, Yi-Yang Sun^*, “Defects in Statically Unstable Solids: The Case for Cubic Perovskite α-CsPbI₃”, Chin. Phys. Lett. 39, 046101 (2022).

(9) Zewei Shao, Aibing Huang, Chen Ming, John Bell, Pu Yu, Yi-Yang Sun^*, Liangmao Jin, Liyun Ma, Hongjie Luo^*, Ping Jin, and Xun Cao^*, “All-solid-state proton-based tandem structures for fast-switching electrochromic devices”, Nature Electron. 5, 45 (2022).

(8) Chen Ming, Han Wang, Damien West, Shengbai Zhang and Yi-Yang Sun^*, “Defect tolerance in CsPbI₃: reconstruction of the potential energy landscape and band degeneracy in spin–orbit coupling”, J. Mater. Chem. A 10, 3018 (2022).

(7) Aming Lin, Chen Ming, Yi-Yang Sun^*, “Dilute Element Compounds: A Route to Enriching Inorganic Functional Materials”, J. Phys. Chem. Lett. 12, 8194 (2021).

(6) Xiaowei Wu, Weiwei Gao, Jun Chai, Chen Ming^*, Miaogen Chen, Hao Zeng, Peihong Zhang, Shengbai Zhang, Yi-Yang Sun^*, “Defect tolerance in chalcogenide perovskite photovoltaic material BaZrS₃”, Sci. China Mater. 64, 2976 (2021).

(5) Chen Ming, Ke Yang, Hao Zeng, Shengbai Zhang and Yi-Yang Sun*, “Octahedron rotation evolution in 2D perovskites and its impact on optoelectronic properties: the case of Ba-Zr–S chalcogenides”, Mater. Horiz. 7, 2985 (2020).

(4) Jun Chai, Zewei Shao, Han Wang, Chen Ming, Wanseok Oh, Tang Ye, Yong Zhang, Xun Cao*, Ping Jin, Shengbai Zhang and Yi-Yang Sun^*, “Ultrafast processes in photochromic material YH_xO_y studied by excited-state density functional theory simulation”, Sci. China Mater. 63, 1579 (2020).

(3) Xiaoping Zhang, Yan-Ni Li, Yi-Yang Sun^*, Tao Zhang^*, “Inverting the Triiodide Formation Reaction by the Synergy between Strong Electrolyte Solvation and Cathode Adsorption for Lithium-Oxygen Batteries”, Angew. Chem. Int. Ed. 58, 18394 (2019).

(2) Han Wang, Zhizhan Qiu, Weiyi Xia, Chen Ming, Yuyan Han, Liang Cao, Jiong Lu, Peihong Zhang, Shengbai Zhang, Hai Xu^*, and Yi-Yang Sun^*, “Semimetal or Semiconductor: The Nature of High Intrinsic Electrical Conductivity in TiS₂”, J. Phys. Chem. Lett. 12, 8194 (2019).

(1) Ziying Wang^#, Yi-Yang Sun^#, Ibrahim Abdelwahab, Liang Cao, Wei Yu, Huanxin Ju, Junfa Zhu, Wei Fu, Leiqiang Chu, Hai Xu^*, and Kian Ping Loh^*, “Surface-Limited Superconducting Phase Transition on 1T？TaS₂”, ACS Nano 12, 12619 (2018).