研究方向:

电子器件的原子级仿真方法和TCAD软件、SPICE建模提参软件

半导体的第一性原理和机器学习计算模拟方法和软件

缺陷和掺杂物理、可靠性物理和辐照效应

新型半导体（二维、多元化合物）材料与器件的计算设计

教育背景：

复旦大学，凝聚态物理，博士

工作、学术经历：

2025年05月-至今              复旦大学集成电路与微纳电子创新学院，教授 

2021年03月–2025年04月 复旦大学微电子学院，研究员

2019年07月–2021年02月 华东师范大学物理与电子科学学院，研究员

2013年07月–2019年06月 华东师范大学信息科学技术学院，研究员

2009年07月–2013年06月 华东师范大学信息科学技术学院，副研究员

2016年06月–2016年09月 橡树岭国家实验室，访问学者

2011年05月–2013年05月 劳伦斯-伯克利国家实验室，博士后

获奖或荣誉：

上海市青年科技英才奖（2023）

中国电子学会自然科学二等奖（2021，第二完成人）

中国材料研究学会计算材料学青年奖（2017）

教育部自然科学奖一等奖（2015，第二完成人）

人才称号：

国家级领军人才计划（2022）

上海市优秀学术带头人（2019，青年）

国家级青年人才计划（2017）

国家自然科学基金优秀青年基金（2017）

上海市教委曙光计划（2016）

上海市青年拔尖人才（2015）

上海市青年科技启明星（2014）

学术兼职：

IEEE Nanotechnology Council Modeling and Simulation (TC10) Committee Member

半导体学报（Journal of Semiconductors）编委

Journal of Computational Physics, Associate Editor

Micro and Nanostructures, Editor

Computational Materials Sciences, Editorial Board Member

科研项目：

1.国家自然科学基金重点项目，半导体器件中缺陷相关可靠性物理的多尺度计算模拟、负责人。

2.上海市科委集成电路专项项目，基于人工智能的先进硅基器件建模和参数自动优化研究、负责人。

3.国家重点研发计划项目课题，新型铁性原理电子器件和光电器件研制、负责人。

4.上海市科委探索者计划项目，微纳电子器件的原子级仿真方法和软件、负责人。

5.国家自然科学基金面上项目，电子束辐照下半导体缺陷形成与重构过程的第一性原理计算模拟、负责人。

6.国家自然科学基金优秀青年科学基金，新型多元半导体的计算设计、负责人。

7.国家自然科学基金面上项目，CdTe类光伏半导体中点缺陷的载流子俘获截面及少子寿命的计算和测量、负责人。

8.霍英东教育基金青年教师基金，新型多元半导体光电材料的性能优化和计算设计、负责人。

9.上海市教委曙光计划，半导体缺陷的计算模拟方法发展、负责人。

代表性成果：

[1]Xinjing Guo, Menglin Huang*, Shiyou Chen*, RASP: Reliability ab initio simulation package of MOSFETs based on all-state model, arXiv.2603.12042 (2026).

[2]Zhenxing Dai, Zhong Yang, Mingjue Ni, Menglin Huang*, Hongjun Xiang, Xin-Gao Gong, Shiyou Chen*, Machine learning Hamiltonian enables scalable and accurate defect calculations: The case of oxygen vacancies in amorphous SiO2, arXiv:2604.07197 (2026).

[3]Guang-Hua Xu, Shiyou Chen*, Yue-Yang Liu*, A General and Non-Destructive P-Type Doping Strategy towards Two-Dimensional Complementary Technology, IEEE Electron Device Letters, DOI 10.1109/LED.2026.3673340 (2026).

[4]Xiaochen Zhang, Shuqi Tang, Kang Wang, Menglin Huang*, Shiyou Chen*, Atomistic mechanisms of opposite threshold voltage shift induced by La and Al doping in HfO2-based gate stacks: First-principles insights, Applied Physics Letters, 128, 043502 (2026).

[5] Tianye Yu, Gongteng Xiao, Yudi Zhao, Shiyou Chen, Guangxi Hu, Ye Lu, A compact bias-dependent body resistance model for partially depleted silicon-on-insulator MOSFETs, Microelectronics Journal, 170, 107059 (2026).

[6] Kang Wang, Menglin Huang*, Zhenxing Dai, Saichao Yan, Zhixin Guo, Hongjun Xiang, Xin-Gao Gong, Shiyou Chen*, Silicon Nanowire Gate-All-Around Cold Source MOSFET With Ultralow Power Dissipation: A Machine-Learning-Hamiltonian Accelerated Design, Advanced Functional Materials, 36, e13807 (2026).

[7] Chengjie Tang, Xiaolong Ma, Kang Wang, Fangxuan Yi, Haobo Huang, Weiao Chen, Feige Lou, Shuiyuan Wang, Shiyou Chen, Zengxing Zhang, Zhaori Bi, Zhibo Chen, Wenpeng Liu, Shisheng Xiong, Peng Zhou, Ye Lu, A Semi-floating Body Memory Featuring Brain-like Behaviors, ACS Applied Materials & Interfaces, 18, 3232 (2026).

[8] Liulei Shao, Menglin Huang, Jihui Yang, Shiyou Chen, Attention Mechanism in Line Graph Neural Network for Material Property Prediction, Adv. Theory Simul., 9, e02059 (2026).

[9] Yinchi Liu, Kangli Xu, Shuqi Tang, Handong Zhu, Lin Chen, Shiyou Chen, Wenjun Liu, Peng Zhou, Back-end-of-line-compatible low-voltage operation in Hf0.5 Zr0.5O2 ferroelectric film enabled by in-situ lanthanum doping, National Science Review, 13, nwag049 (2026).

[10]Xinpeng Li, Xinjing Guo, Menglin Huang*, Xin-Gao Gong, Shiyou Chen*, Machine learning interatomic potentials accelerate defect exploration in amorphous silica, Physical Review Materials, 10, 015003 (2026).

[11]Wentao Huang, Hu Wang, Shanshan Wang, Menglin Huang, Yuting Sun, Weijun Weng, Zhitang Song, Jiabin Shen, Shiyou Chen, Zengguang Cheng, Peng Zhou, Elemental Selenium Phase-Change Material for Scalable Ultra-Low-Loss Programmable Photonics, Advanced Materials, 38, e20056 (2026).

[12]Saifei Gou, Yuxuan Zhu, Zhejia Zhang, Menglin Huang, Jinshu Zhang, Xiangqi Dong, Mingrui Ao, Qicheng Sun, Zhenggang Cai, Yan Hu, Yufei Song, Jiahao Wang, Haojie Chen, Yuchen Tian, Xinliu He, Jieya Shang, Zhengjie Sun, Qihao Chen, Yang Liu, Zihan Xu, Xiaofei Yue, Chunxiao Cong, Yin Wang, Liwei Liu, Xiaojun Tan, Mengjiao Li, Chen Yang, Hao Meng, Mingyuan Liu, Huihui Li, Shiyou Chen*, Peng Zhou*, Wenzhong Bao*, Quasi-non-volatile capacitorless DRAM based on ultralow-leakage edge-contact MoS2 transistors, Nature Materials, DOI 10.1038/s41563-025-02470-w (2026).

[13]缺陷的智能学习引擎（ILED）软件, 软件著作权，2025-9-2.

[14]Junjie Zhou, Xinpeng Li, Menglin Huang*, Shiyou Chen*, One-defect one-potential strategy for accurate machine learning prediction of phonons in defect-containing supercells, Physical Review B, 112, 235205 (2025).

[15]Shanshan Wang, Menglin Huang*, Su-Huai Wei, Xin-Gao Gong, Shiyou Chen*, Generalized A(n)BC Recombination Model in Semiconductors with Multilevel Defects, Journal of the American Chemical Society, 147, 36825 (2025).

[16]Shuqi Tang, Kang Wang, Menglin Huang*, Shiyou Chen*, Statistics on Oxygen Vacancy Defects in Amorphous HfO2: A Neural-Network Interatomic Potential Assisted High-Throughput Prediction, Small Methods, 9, e01111 (2025).

[17]Wei Liu, Pengsheng Guo, Ziyue Zheng, Shiyou Chen*, Yu-Ning Wu*, Neural-Network Potential for Defect Formation Induced by Knock-On Irradiation Damage in 4H-SiC, Advanced Electronic Materials, 11 (2025).

[18]Xinjing Guo, Menglin Huang*, Shiyou Chen*, Si/SiO2 MOSFET reliability physics: From four-state model to all-state model, Physical Review Applied, 24, 044040 (2025).

[19]Chen-Min Dai, Feifan Bian, Chunlan Ma, Menglin Huang, Zenghua Cai, Shiyou Chen, Microscopic origin of metal-insulator transition in two-dimensional Bi2O2Se unraveled by first-principles simulations, Applied Physics Letters, 127, 262104 (2025).

[20]Ruirong Bai, Zhennan Lin, Menglin Huang, Shanshan Wang, Shiyou Chen, Yu-Ning Wu, Identification of luminescent defects in wide-bandgap semiconductors using first-principles, Journal of Physics-Condensed Matter, 37, 293001 (2025).

[21]Ruirong Bai, Pengsheng Guo, Song Yu, Zenghua Cai, Shiyou Chen, Yu-Ning Wu, Excited-State Carrier Dynamics in Knock-on Damage of Monolayer MoS2 from First Principles, Journal of Physical Chemistry Letters, 16, 3809 (2025).

[22]Junjie Zhou, Shanshan Wang, Menglin Huang*, Xin-Gao Gong, Shiyou Chen*, Defect phonon renormalization during nonradiative multiphonon transitions in semiconductors, Physical Review B, 111, 115202 (2025).

[23]Wen Di Zhang, Zi Zheng Song, Shu Qi Tang, Jin Chen Wei, Yan Cheng, Bing Li, Shiyou Chen*, Zi Bin Chen*, An Quan Jiang*, Ultrahigh dielectric permittivity in Hf0.5Zr0.5O2 thin-film capacitors, Nature communications, 16, 2679 (2025).

[24]Yuxing Ma, Hongyu Yu, Yang Zhong, Shiyou Chen, Xingao Gong, Hongjun Xiang, Transferable machine learning approach for predicting electronic structures of charged defects, Applied Physics Letters, 126, 044103 (2025).

[25]Wei Liu, Pengsheng Guo, Ziyue Zheng, Shiyou Chen, Yu-Ning Wu, Neural-Network Potential for Defect Formation Induced by Knock-On Irradiation Damage in 4H-SiC, Advanced Electronic Materials, 11, 2400911 (2025).

[26]Zhenhai Li, Shuqi Tang, Tianyu Wang, Yongkai Liu, Jialin Meng, Jiajie Yu, Kangli Xu, Ruihong Yuan, Hao Zhu, Qingqing Sun, Shiyou Chen, David Wei Zhang, Lin Chen, Effect of Lanthanum-Aluminum Co-Doping on Structure of Hafnium Oxide Ferroelectric Crystals, Advanced Science, 12, 2410765 (2025).

[27]Xiang Li, Ziqing Li, Jinhan Hu, Bangchi Huang, Jianlin Shi, Zhipeng Zhong, Yezhao Zhuang, Yan Chen, Jingli Wang, Jianfeng Li, Lei Zhang, Xiangjian Meng, Wu Shi, Shiyou Chen, Xiaosheng Fang, Hai Huang, Jianlu Wang, Junhao Chu, Tunneling-barrier-controlled sensitive deep ultraviolet photodetectors based on van der Waals heterostructures, Nature Communications, 16, 2209 (2025).

[28]Ruirong Bai, Dingrong Liu, Shiyou Chen, Yu-Ning Wu, Origin of the unidentified color centers in 4H-SiC from first principles, Physical Review B, 111, 014106 (2025).

[29]Saichao Yan, Kang Wang, Zhixin Guo, Yu-Ning Wu*, Shiyou Chen*, Tunneling field-effect transistors with two-dimensional BiN as the channel semiconductor, Applied Physics Letters, 124, 143502 (2024).

[30]Saichao Yan, Kang Wang, Zhixin Guo, Yu-Ning Wu*, Shiyou Chen*, SiX2 (X = S, Se) Nanowire Gate-All-Around MOSFETs for Sub-5 nm Applications, Nano Letters, 24, 6158 (2024).

[31]Shanshan Wang, Menglin Huang, Yu-Ning Wu, Shiyou Chen, Role of anion-cation antisites in Zn-based II-IV-V2 chalcopyrite semiconductors, Journal of Applied Physics, 135, 245703 (2024).

[32]Jinlin Wang, Jiangjian Shi, Kang Yin, Fanqi Meng, Shanshan Wang, Licheng Lou, Jiazheng Zhou, Xiao Xu, Huijue Wu, Yanhong Luo, Dongmei Li*, Shiyou Chen*, Qingbo Meng*, Pd(II)/Pd(IV) redox shuttle to suppress vacancy defects at grain boundaries for efficient kesterite solar cells, Nature Communications, 15, 4344 (2024).

[33]Pengsheng Guo, Chengzhen Song, Yu-Ning Wu*, Shiyou Chen*, Temperature Effect on GaN Threshold Displacement Energy Under Low-Energy Electron Beam Irradiation, Advanced Electronic Materials, 10, 2400014 (2024).

[34]Song Yu, Zenghua Cai, Deyan Sun*, Yu-Ning Wu*, Shiyou Chen*, Defect MoS Misidentified as MoS2 in Monolayer MoS2 by Scanning Transmission Electron Microscopy: A First-Principles Prediction, Journal of Physical Chemistry Letters,  14, 1840 (2023).

[35]Yin Xia, Xinyu Chen, Jinchen Wei, Shuiyuan Wang, Shiyou Chen, Simin Wu, Minbiao Ji, Zhengzong Sun, Zihan Xu, Wenzhong Bao, Peng Zhou, 12-inch growth of uniform MoS2 monolayer for integrated circuit manufacture, Nature Materials, 22, 1324–1331 (2023).

[36]Chengzhen Song, Lilai Jiang, Yu-Ning Wu, Shiyou Chen, Neural-Network Potential Simulation of Defect Formation Induced by Knock-On Irradiation Damage in GaN, Advanced Electronic Materials, 9, 2300158 (2023).

[37]Zhenhai Li, Jinchen Wei, Jialin Meng, Yongkai Liu, Jiajie Yu, Tianyu Wang, Kangli Xu, Pei Liu, Hao Zhu, Shiyou Chen, Qing-Qing Sun, David Wei Zhang, Lin Chen, The Doping Effect on the Intrinsic Ferroelectricity in Hafnium Oxide- Based Nano-Ferroelectric Devices, Nano Letters, 23, 4675 (2023).

[38]Zhenhai Li, Jialin Meng, Jiajie Yu, Yongkai Liu, Tianyu Wang, Pei Liu, Shiyou Chen, Hao Zhu, Qingqing Sun, David Wei Zhang, Lin Chen, CMOS Compatible Low Power Consumption Ferroelectric Synapse for Neuromorphic Computing, IEEE Electron Device Letters, 44, 532 (2023).

[39]Lilai Jiang, Chengzhen Song, Yu-Ning Wu, Shiyou Chen, Gate dielectric layer mitigated device degradation of AlGaN/GaN-based devices under proton irradiation, AIP Advances, 13, 045008 (2023).

[40]Shiyou Chen, Novel ferroelectric structures of Al1-xScxN with low polarization switching barriers and large spontaneous polarization, Science China-Physics Mechanics & Astronomy, 66, 107332 (2023).

[41]Fan Zhang, Zheng-Dong Luo, Qiyu Yang, Jiuren Zhou, Jin Wang, Zhaohao Zhang, Qikui Fan, Yue Peng, Zhenhua Wu, Fei Liu, Shiyou Chen, Dongsheng He, Huaxiang Yin, Genquan Han, Yan Liu, Yue Hao, Evolution of the Interfacial Layer and Its Impact on Electric-Field-Cycling Behaviors in Ferroelectric Hf1-xZrxO2, ACS Applied Materials & Interfaces, 14, 11028 (2022).

[42]Yali Yang, Junyi Ji, Junsheng Feng, Shiyou Chen*, Laurent Bellaiche, Hongjun Xiang*, Two-Dimensional Organic-Inorganic Room-Temperature Multiferroics, Journal of the American Chemical Society, 144, 14907–14914 (2022).

[43]Saichao Yan, Jinchen Wei, Shanshan Wang, Menglin Huang, Yu-Ning Wu, Shiyou Chen, Defect physics of the quasi-two-dimensional photovoltaic semiconductor GeSe, Chinese Physics B, 31, 116103 (2022).

[44]Shanshan Wang, Menglin Huang, Wu Yu-Ning, Shiyou Chen, Formation of Bi-Bi Dimers in Heavily Bi-Doped Lead Halide Perovskites: Origin of Carrier Density Saturation, Physical Review Applied, 17, 024024 (2022).

[45]Shanshan Wang, Menglin Huang, Yu-Ning Wu, Weibin Chu, Jin Zhao, Aron Walsh, Xin-Gao Gong, Su-Huai Wei, Shiyou Chen*, Effective lifetime of non-equilibrium carriers in semiconductors from non-adiabatic molecular dynamics simulations, Nature Computational Science, 2, 486 (2022).

[46]Shanshan Wang, Shiyou Chen, Calculating effective carrier lifetimes in semiconductor crystals under realistic conditions, Nature Computational Science, 2, 563 (2022).

[47]Peng Wang, Yizhou Jiang, Yitian Gu, Menglin Huang, Wei Huang, Shiyou Chen, Zhiqiang Xiao, Xinbo Zou, Yiwu Qiu, Xinjie Zhou, Jianjun Zhou, David Wei Zhang, Investigation of trapping effects in Schottky lightly doped P-GaN gate stack under γ-ray irradiation, Applied Physics Letters, 121, 143501 (2022).

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

[49]Menglin Huang, Zhengneng Zheng, Zhenxing Dai, Xinjing Guo, Shanshan Wang, Lilai Jiang, Jinchen Wei, Shiyou Chen, DASP: Defect and Dopant ab-initio Simulation Package, Journal of Semiconductors, 43, 042101 (2022). (arXiv:2201.02079. Manual: https://hzwtech.com/files/software/DASP/html/index.html)

[50]Menglin Huang, Shanshan Wang, Tao Zhang, Shiyou Chen*, Searching for Band-Dispersive and Defect-Tolerant Semiconductors from Element Substitution in Topological Materials, Journal of the American Chemical Society, 144, 4685 (2022).

[51]Menglin Huang, Shuaicheng Lu, Kanghua Li, Yue Lu, Chao Chen, Jiang Tang, Shiyou Chen, p-Type Antimony Selenide via Lead Doping, Solar Rrl, 6, 2100730 (2022).

[52]Shreyash Hadke, Menglin Huang, Chao Chen, Ying Fan Tay, Shiyou Chen, Jiang Tang, Lydia Wong, Emerging Chalcogenide Thin Films for Solar Energy Harvesting Devices, Chemical Reviews, 122, 10170 (2022).

[53]Yuancai Gong, Qiang Zhu, Bingyan Li, Shanshan Wang, Biwen Duan, Licheng Lou, Chunxu Xiang, Erin Jedlicka, Rajiv Giridharagopal, Yage Zhou, Qi Dai, Weibo Yan, Shiyou Chen*, Qingbo Meng*, Hao Xin*, Elemental de-mixing-induced epitaxial kesterite/CdS interface enabling 13%-efficiency kesterite solar cells, Nature Energy, 7, 966 (2022).

[54]Tao Zhang, Yu-Ning Wu, Shiyou Chen, Bandgap Engineering through Halide Double-Perovskite Alloys: A High-Throughput First-Principles Study, Physica Status Solidi-Rapid Research Letters, 15, 2100343 (2021).

[55]Yonggang Xu, Ji-Hui Yang, Shiyou Chen, Xin-Gao Gong, Defect-assisted nonradiative recombination in Cu2ZnSnSe4: A comparative study with Cu2ZnSnS4, Physical Review Materials, 5, 025403 (2021).

[56]Jinchen Wei, Lilai Jiang, Menglin Huang, Yuning Wu*, Shiyou Chen*, Intrinsic Defect Limit to the Growth of Orthorhombic HfO2 and (Hf,Zr)O2 with Strong Ferroelectricity: First-Principles Insights, Advanced Functional Materials, 31, 2104913 (2021).

[57]Hai Wei, Yali Yang, Shiyou Chen*, H. J. Xiang*, Lead-free hybrid perovskite N(CH3)4SnI3 with robust ferroelectricity induced by large and non-polar N(CH3)4+ molecular cation, Nature communications, 12, 637 (2021).

[58]Zhen Wang, Hui Xia, Peng Wang, Xiaohao Zhou, Chunsen Liu, Qinghua Zhang, Fang Wang, Menglin Huang, Shiyou Chen, Peisong Wu, Yunfeng Chen, Jiafu Ye, Shenyang Huang, Hugen Yan, Lin Gu, Jinshui Miao, Tianxin Li, Xiaoshuang Chen, Wei Lu, Peng Zhou, Weida Hu, Controllable Doping in 2D Layered Materials, Advanced Materials, 33, 2104942 (2021).

[59]Shanshan Wang, Menglin Huang, Yu-Ning Wu, Shiyou Chen, Absolute Volume Deformation Potentials of Inorganic ABX3 Halide Perovskites: The Chemical Trends, Adv. Theory Simul., 4, 2100060 (2021).

[60]Shun-Chang Liu, Chen-Min Dai, Yimeng Min, Yi Hou, Andrew H. Proppe, Ying Zhou, Chao Chen, Shiyou Chen, Jiang Tang, Ding-Jiang Xue, Edward H. Sargent, Jin-Song Hu, An antibonding valence band maximum enables defect-tolerant and stable GeSe photovoltaics, Nature Communications, 12, 670 (2021).

[61]Lan Liu, Chunsen Liu, Lilai Jiang, Jiayi Li, Yi Ding, Shuiyuan Wang, Yu-Gang Jiang, Ya-Bin Sun, Jianlu Wang, Shiyou Chen*, David Wei Zhang, Peng Zhou*, Ultrafast non-volatile flash memory based on van der Waals heterostructures, Nature Nanotechnology, 16, 874 (2021).

[62]Zenghua Cai, Menglin Huang, Peng Zhou*, Shiyou Chen*, A Generalized Tunneling Current Formula for Metal/Insulator Heterojunctions under Large Bias and Finite Temperature, arXiv:2103.11400 (2021).

[63]Menglin Huang, Shan-Shan Wang, Yu-Ning Wu, Shiyou Chen, Defect Physics of Ternary Semiconductor ZnGeP2 with a High Density of Anion-Cation Antisites: A First-Principles Study, Physical Review Applied, 15, 024035 (2021).

[64]Menglin Huang, He Li, Shiyou Chen, Triple-Site Dopant-Defect Complexes in Mg-H-Codoped GaN: First-Principles Identification, Physica Status Solidi a-Applications and Materials Science, 218, 2000723 (2021).

[65]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, 2102429 (2021).

[66]Mingrui He, Xian Zhang, Jialiang Huang, Jianjun Li*, Chang Yan, Jihun Kim, Yi-Sheng Chen, Limei Yang, Julie M. Cairney, Yu Zhang, Shiyou Chen*, Jinhyeok Kim*, Martin A. Green, Xiaojing Hao*, High Efficiency Cu2ZnSn(S,Se)4 Solar Cells with Shallow LiZn Acceptor Defects Enabled by Solution-Based Li Post-Deposition Treatment, Advanced Energy Materials, 11, 2003783 (2021).

[67]Dan Han, Shiyou Chen, Mao-Hua Du, Role of Polycyclic Aromatic Alkylammonium Cations in Tuning the Electronic Properties and Band Alignment of Two-Dimensional Hybrid Perovskite Semiconductors, Journal of Physical Chemistry Letters, 12, 9754 (2021).

[68]Yachao Du, Shanshan Wang, Qingwen Tian, Yuechao Zhao, Xiaohuan Chang, Haiqin Xiao, Yueqing Deng, Shiyou Chen*, Sixin Wu*, Shengzhong Liu*, Defect Engineering in Earth-Abundant Cu2ZnSn(S,Se)4 Photovoltaic Materials via Ga3+-Doping for over 12% Efficient Solar Cells, Advanced Functional Materials, 31, 2010325 (2021).

[69]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 Journal of Physics, 23, 013018 (2021).

[70]Zenghua Cai, Yuning Wu, Shiyou Chen, Energy-dependent knock-on damage of organic-inorganic hybrid perovskites under electron beam irradiation: First-principles insights, Applied Physics Letters, 119, 123901 (2021).

[71]Lele Cai, Shanshan Wang, Menglin Huang, Yu-Ning Wu, Shiyou Chen, First-principles identification of deep energy levels of sulfur impurities in silicon and their carrier capture cross sections, Journal of Physics D-Applied Physics, 54, 335103 (2021).

[72]Ying Bai, Zeng-Hua Cai, Yu-Ning Wu, Shiyou Chen, Enhancing neutron radiation resistance of silicon-based semiconductor devices through isotope separation and enrichment, Radiation Effects and Defects in Solids, 176, 419 (2021).

[73]Jianjun Li*, Yanchan Huang, Jialiang Huang, Guangxing Liang, Yunxiang Zhang, Germain Rey, Fei Guo, Zhenghua Su, Hongbing Zhu, Lele Cai, Kaiwen Sun, Yun Sun, Fangyang Liu*, Shiyou Chen*, Xiaojing Hao*, Yaohua Mai*, Martin A. Green*, Defect Control for 12.5% Efficiency Cu2ZnSnSe4 Kesterite Thin-Film Solar Cells by Engineering of Local Chemical Environment, Advanced Materials 32, 2005268 (2020).