一、基本情况：

苏州科技大学物理科学与技术学院讲师。2019年博士毕业于华东师范大学，导师陈时友教授。博士就读期间受到国家留学基金委员会资助在美国劳伦斯伯克利国家实验室联合培养1年（2017年9月-2018年9月），导师Lin-Wang Wang教授，后在复旦大学龚新高院士课题组做博后两年（2019年-2021年）。2023年被遴选为硕士生导师。

二、主要研究领域及学术成就：

主要研究方向包括新型光电半导体材料的设计，缺陷性质，以及载流子动力学性质的理论计算研究。主持国家自然科学基金青年基金项目1项（2024.01-2026.12）。目前发表SCI论文19余篇，包括Nature Electronics，Joule，InfoMat，Chemistry of Materials，Chemical Science，Solar RRL，Small，ACS Applied Materials & Interfaces，APL Materials等。论文被引用400余次。

三、代表性科研成果：

[1] Zenghua Cai, Yuning Wu, Shiyou Chen, Energy-dependent knock-on damage of organic–inorganic hybrid perovskites under electron beam irradiation: First-principles insights, Appl. Phys. Lett., 119 (2021).

[2] Zenghua Cai, Chen-Min Dai, Shiyou Chen, Intrinsic defect limit to the electrical conductivity and a two-step p-type doping strategy for overcoming the efficiency bottleneck of Sb₂S₃-based solar cells, Sol. RRL, 4 (2020) 1900503.

[3] Zenghua Cai, Shiyou Chen, Extrinsic dopants in quasi-one-dimensional photovoltaic semiconductor Sb₂S₃: A first-principles study, J. Appl. Phys., 127 (2020).

[4] Zenghua Cai, Shiyou Chen, Lin-Wang Wang, Dissociation path competition of radiolysis ionization-induced molecule damage under electron beam illumination, Chem. Sci., 10 (2019) 10706-10715.

[5] Zenghua Cai, Prineha Narang, Harry A Atwater, Shiyou Chen, Chun-Gang Duan, Zi-Qiang Zhu, Jun-Hao Chu, Cation-mutation design of quaternary nitride semiconductors lattice-matched to GaN, Chem. Mater., 27 (2015) 7757-7764.

[6] Dan Han, Bonan Zhu, Zenghua Cai, Kieran B Spooner, Stefan S Rudel, Wolfgang Schnick, Thomas Bein, David O Scanlon, Hubert Ebert, Discovery of multi-anion antiperovskites X₆NFSn₂ (X= Ca, Sr) as promising thermoelectric materials by computational screening, Matter, 7 (2024) 158-174.

[7] Song Yu, Zenghua Cai, Deyan Sun, Yu-Ning Wu, Shiyou Chen, Defect Mo_S misidentified as Mo_S2 in monolayer MoS₂ by scanning transmission electron microscopy: A first-principles prediction, J. Phys. Chem. Lett., 14 (2023) 1840-1847.

[8] Kai Liu, Saqib Rafique, Stefania F Musolino, Zenghua Cai, Fengcai Liu, Xiaoguo Li, Yongbo Yuan, Qinye Bao, Yingguo Yang, Jiao Chu, Covalent bonding strategy to enable non-volatile organic cation perovskite for highly stable and efficient solar cells, Joule, 7 (2023) 1033-1050.

[9] Mengling Xia, Guangda Niu, Linyue Liu, Runlong Gao, Tong Jin, Pengying Wan, Weicheng Pan, Xianpeng Zhang, Zuoxiang Xie, Sam Teale, Zenghua Cai, Jiajun Luo, Shan Zhao, Haodi Wu, Shiyou Chen, Zhiping Zheng, Qingguo Xie, H. Edward Sargent, Jiang Tang, Organic–inorganic hybrid perovskite scintillators for mixed field radiation detection, InfoMat, 4 (2022) e12325.

[10] Dingrong Liu, Zenghua Cai, Yu-Ning Wu, Shiyou Chen, First-principles identification of V_I+ Cu_i defect cluster in cuprous iodide: origin of red light photoluminescence, Nanotechnology, 33 (2022) 195203.

[11] Wenya Wei, Siwei Yang, Gang Wang, Teng Zhang, Wei Pan, Zenghua Cai, Yucheng Yang, Li Zheng, Peng He, Lei Wang, Bandgap engineering of two-dimensional C₃N bilayers, Nat. Electron., 4 (2021) 486-494.

[12] Menglin Huang, Zenghua Cai, Shanshan Wang, Xin‐Gao Gong, Su‐Huai Wei, Shiyou Chen, More Se vacancies in Sb₂Se₃ under Se‐rich conditions: an abnormal behavior induced by defect‐correlation in compensated compound semiconductors, Small, 17 (2021) 2102429.

[13] Jiangming Cao, Menglin Huang, Dingrong Liu, Zenghua Cai, Yu-Ning Wu, Xiang Ye, Shiyou Chen, Defects and dopants in zinc-blende aluminum arsenide: a first-principles study, New J. Phys., 23 (2021) 013018.

[14] Ying Bai, Zenghua Cai, Yu-Ning Wu, Shiyou Chen, Enhancing neutron radiation resistance of silicon-based semiconductor devices through isotope separation and enrichment, Radia. Eff. Defects Solids, 176 (2021) 419-430.

[15] Tao Zhang, Zenghua Cai, Shiyou Chen, Chemical trends in the thermodynamic stability and band gaps of 980 halide double perovskites: A high-throughput first-principles study, ACS Appl. Mater. Interfaces, 12 (2020) 20680-20690.

[16] Menglin Huang, Zenghua Cai, Shiyou Chen, Quasi-one-dimensional Sb₂(S,Se)₃ alloys as bandgap-tunable and defect-tolerant photocatalytic semiconductors, J. Chem. Phys., 153 (2020).

[17] Xian Zhang, Menglin Huang, Peng Xu, Chen-Min Dai, Zenghua Cai, Dan Han, Shiyou Chen, Earth-abundant photovoltaic semiconductor NaSbS₂ in the rocksalt-derived structure: A first-principles study, Prog. Nat. Sci., 29 (2019) 322-328.

[18] Chen-Min Dai, Peng Xu, Menglin Huang, Zenghua Cai, Dan Han, Yuning Wu, Shiyou Chen, NaSbSe₂ as a promising light-absorber semiconductor in solar cells: First-principles insights, APL Mater., 7 (2019).

[19] Qiheng Liu, Zenghua Cai, Dan Han, Shiyou Chen, Natural intermediate band in I₂-II-IV-VI₄ quaternary chalcogenide semiconductors, Sci. Rep., 8 (2018) 1604.