教育背景与工作经历

教育背景

• 博士，物理学系，复旦大学，2007-2010
• 硕士，物理学系，复旦大学，2005-2007
• 本科，物理与电子科学系，长沙理工大学，2001-2005

工作经历

• 副教授，上海理工大学理学院，2015-2023
• 讲师，上海理工大学理学院，2010-2015

科研项目

• 科研项目 : 1 、单层石墨自旋轨道耦合效应的实现和调控，来源：上海高校青年教师培养资助计划。 2 、金属 - 半导体界面的自旋轨道耦合效应研究，来源：国家自然科学基金青年项目。

代表性论著

• 1. Li XuHui, Li ZhongYao, Zhao Bin, Wan Rui, Wang JunYou. Single-Atom Transition Metals Anchored NbS2: Electrocatalytic Reduction of CO2 to HCOOH. Journal of Physical Chemistry C, 2025, 129(47): 20931-20937.
• 2. Feng ZeHao, Li ZhongYao, Mao RuiLin. Understanding the Bonding Mechanism in Hexagonal B-S Monolayers: As Examples of B6S2 and B7S2. Journal of Physical Chemistry C, 2025, 129(43): 19648-19655.
• 3. Mao RuiLin, Li ZhongYao. 5d transition metal atom substituting N doped MoSi2N4 and WSi2N4: Electronic structure, magnetic anisotropy, and strain effect. PHYSICS LETTERS A, 2025, 534(2025): 130260.
• 4. Wan Rui, Li ZhongYao, Zhao Bin. Boron-Coordinated Carbon-Nitrogen Monolayer Supported Transition Metal Catalysts for Efficient Electrochemical CO2RR. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2025, 125(11): e70059.
• 5. Wan Rui, Li ZhongYao, Zhao Bin. Synergistic Effect of the Heteronuclear Double Sites in C9N4 on the Electrochemical Reduction of CO2 to CO. Catalysts, 2025, 15(4): 370.
• 6. Zhao Bin, Li ZhongYao, Wang JunYou, Wan Rui. Theoretical Study of Ni- and Cu-Doped Molybdenum Ditelluride Electrocatalysts for Carbon Dioxide Reduction to Formic Acid and Carbon Monoxide. Catalysts, 2025, 15(4): 377.
• 7. Feng ZeHao, Liu TingYu, Hong Wei, Wang JiangHai, Li HuiFang, Lu Xu, Li ZhongYao. DFT plus U study on the hole by FeP in KH2PO4 crystal. COMPUTATIONAL MATERIALS SCIENCE, 2025, 260(10): 1.
• 8. Feng ZeHao, Liu TingYu, Hong Wei, Wang JiangHai, Li HuiFang, Lu Xu, Li ZhongYao. Study on the FeP Defects in KH2PO4 Crystals. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2025, (4): 2500304.
• 9. Xu ZhongLiang, Li ZhongYao. Planar Fe:WS2/WS2/Fe:WS2 tunnel junction: Giant magnetoresistance and perfect spin filtering. COMPUTATIONAL MATERIALS SCIENCE, 2024, 235(2024): 112832.
• 10. Wu ManHong, Li ZhongYao, Wang JunYou. Quantum Transport of Topological and Trivial Edge States in Sn-Doped SbH Nanoribbons. Physica Status Solidi-Rapid Research Letters, 2024, 18(4): 202300418.
• 11. Wu ManHong, Li ZhongYao, Wang JunYou. SbH Nanoribbons: The Odd-Even Oscillating Band Gap and Resonance Tunneling Behavior. Journal of Physical Chemistry C, 2024, 128(3): 1243-1248.
• 12. Wang JunYou, Li ZhongYao, Wu ManHong, Zhao Bin, Wan Rui. Tackling the activity and selectivity challenges of electrocatalysts toward the CO2RR via biatom catalysts on the 2D extended phthalocyanines. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2024, 124(1): e27308.
• 13. Zhao YiFei, Li ZhongYao. Tuning the Bandgap and Topological Phase Transition in Bilayer Van der Waals Stanane by Electric Field. Physica Status Solidi-Rapid Research Letters, 2024, 18(5): 202300496.
• 14. Yang Ke, Hua Wu, Yaozhenghang Ma, Lu Liu, Ning YueYue, Di Lu, Yuxuan Zhou, Li ZhongYao. FeS2 monolayer: A high-valence and high-TC Ising ferromagnet. PHYSICAL REVIEW B, 2024, 109(1): 014431.
• 15. Yang WenChao, Li ZhongYao, Yang Ke. Enhanced Magnetic Anisotropy and Curie Temperature by the Absence of Se Atoms at the Interface of EuS/Bi2Se3. Physica Status Solidi-Rapid Research Letters, 2023, 17(4): 2200442.
• 16. Li HangYu, Li ZhongYao. Quasi-periodic scattering of topological edge states induced by the vacancies in chloridized gallium bismuthide nanoribbons. JOURNAL OF PHYSICS-CONDENSED MATTER, 2023, 35(25): 255302.
• 17. Li ZhongYao, Xue JianYuan. Tuning the Magnetic Anisotropy of Co-N-Doped Graphene. Physica Status Solidi-Rapid Research Letters, 2023, 17(7): 2300021.
• 18. Sun XiangYu, Li ZhongYao, Yang Ke. Fe- and Co-Doped Tungsten Disulfide Monolayers: 2D Ferromagnetic Half-Metals at Room Temperature. Physica Status Solidi-Rapid Research Letters, 2022, 16(5): 2100611.
• 19. Liu JingYi, Li ZhongYao. Tuning the Bandgap of Topological Edge States by Inclined-Electric Field. Physica Status Solidi-Rapid Research Letters, 2022, 16(6): 2200022.
• 20. Liu YaNan, Li ZhongYao. Bi2Se3/Bi2Se3 and TlSe/TlSe junctions: enhanced coupling of topological interface states by intercalation. JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2021, 54(2021): 345301.
• 21. Liu XiaoLin, Li ZhongYao. Dual Dirac points and odd-even oscillated energy gap in zigzag chlorinated stanene nanoribbon. JOURNAL OF PHYSICS-CONDENSED MATTER, 2021, 33(2021): 325303.
• 22. Li ZhongYao. Seeing the subtleties—Estimation and analysis of Rutherford’s atomic model. Popular Science (Science Education), 2021, 2021(2): 116.
• He has published more than 20 SCI academic papers as the first author or corresponding author, and a single article has been cited nearly 100 times. Many papers have been published in internationally renowned classical physics journals such as Phys. Rev. B, J. Phys.: Condens. Matter, J. Phys. D: Appl. Phys., etc. Research results link/personal website: https://orcid.org/0000-0002-3295-7718 Representative work: J. Phys. Chem. Lett. 6, 3269-3275 (2015): Electric Field and Strain Effect on Graphene-MoS2 Hybrid Structure: Ab Initio Calculations.

主讲课程

• 本科生《原子物理学》、《固体物理》、《大学物理》和研究生《材料设计理论基础》等课程。

荣誉、学术兼职与社会服务

荣誉与社会服务

• 上海市物理学会第 17 届理事会理事 上海理工大学第三届“志远学者”（ 2018 年）

Education & Work Experience

Education

• Ph.D., Department of Physics, Fudan University, 2007-2010
• M.S., Department of Physics, Fudan University, 2005-2007
• B.S., Department of Physics and Electronic Science, Changsha University of Science and Technology, 2001-2005

Work Experience

• Associate Professor, College of Science, University of Shanghai for Science and Technology, 2015-2023
• Lecturer, College of Science, University of Shanghai for Science and Technology, 2010-2015

Research Projects

• 1. Realization and control of spin-orbit coupling effects in monolayer graphene, funded by the Shanghai Universities Young Faculty Training Program.
• 2. Spin-orbit coupling effects at metal-semiconductor interfaces, funded by the Young Scientists Fund of the National Natural Science Foundation of China.

Selected Publications

• 1. Li XuHui, Li ZhongYao, Zhao Bin, Wan Rui, Wang JunYou. Single-Atom Transition Metals Anchored NbS2: Electrocatalytic Reduction of CO2 to HCOOH. Journal of Physical Chemistry C, 2025, 129(47): 20931-20937.
• 2. Feng ZeHao, Li ZhongYao, Mao RuiLin. Understanding the Bonding Mechanism in Hexagonal B-S Monolayers: As Examples of B6S2 and B7S2. Journal of Physical Chemistry C, 2025, 129(43): 19648-19655.
• 3. Mao RuiLin, Li ZhongYao. 5d transition metal atom substituting N doped MoSi2N4 and WSi2N4: Electronic structure, magnetic anisotropy, and strain effect. PHYSICS LETTERS A, 2025, 534(2025): 130260.
• 4. Wan Rui, Li ZhongYao, Zhao Bin. Boron-Coordinated Carbon-Nitrogen Monolayer Supported Transition Metal Catalysts for Efficient Electrochemical CO2RR. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2025, 125(11): e70059.
• 5. Wan Rui, Li ZhongYao, Zhao Bin. Synergistic Effect of the Heteronuclear Double Sites in C9N4 on the Electrochemical Reduction of CO2 to CO. Catalysts, 2025, 15(4): 370.
• 6. Zhao Bin, Li ZhongYao, Wang JunYou, Wan Rui. Theoretical Study of Ni- and Cu-Doped Molybdenum Ditelluride Electrocatalysts for Carbon Dioxide Reduction to Formic Acid and Carbon Monoxide. Catalysts, 2025, 15(4): 377.
• 7. Feng ZeHao, Liu TingYu, Hong Wei, Wang JiangHai, Li HuiFang, Lu Xu, Li ZhongYao. DFT plus U study on the hole by FeP in KH2PO4 crystal. COMPUTATIONAL MATERIALS SCIENCE, 2025, 260(10): 1.
• 8. Feng ZeHao, Liu TingYu, Hong Wei, Wang JiangHai, Li HuiFang, Lu Xu, Li ZhongYao. Study on the FeP Defects in KH2PO4 Crystals. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2025, (4): 2500304.
• 9. Xu ZhongLiang, Li ZhongYao. Planar Fe:WS2/WS2/Fe:WS2 tunnel junction: Giant magnetoresistance and perfect spin filtering. COMPUTATIONAL MATERIALS SCIENCE, 2024, 235(2024): 112832.
• 10. Wu ManHong, Li ZhongYao, Wang JunYou. Quantum Transport of Topological and Trivial Edge States in Sn-Doped SbH Nanoribbons. Physica Status Solidi-Rapid Research Letters, 2024, 18(4): 202300418.
• 11. Wu ManHong, Li ZhongYao, Wang JunYou. SbH Nanoribbons: The Odd-Even Oscillating Band Gap and Resonance Tunneling Behavior. Journal of Physical Chemistry C, 2024, 128(3): 1243-1248.
• 12. Wang JunYou, Li ZhongYao, Wu ManHong, Zhao Bin, Wan Rui. Tackling the activity and selectivity challenges of electrocatalysts toward the CO2RR via biatom catalysts on the 2D extended phthalocyanines. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2024, 124(1): e27308.
• 13. Zhao YiFei, Li ZhongYao. Tuning the Bandgap and Topological Phase Transition in Bilayer Van der Waals Stanane by Electric Field. Physica Status Solidi-Rapid Research Letters, 2024, 18(5): 202300496.
• 14. Yang Ke, Hua Wu, Yaozhenghang Ma, Lu Liu, Ning YueYue, Di Lu, Yuxuan Zhou, Li ZhongYao. FeS2 monolayer: A high-valence and high-TC Ising ferromagnet. PHYSICAL REVIEW B, 2024, 109(1): 014431.
• 15. Yang WenChao, Li ZhongYao, Yang Ke. Enhanced Magnetic Anisotropy and Curie Temperature by the Absence of Se Atoms at the Interface of EuS/Bi2Se3. Physica Status Solidi-Rapid Research Letters, 2023, 17(4): 2200442.
• 16. Li HangYu, Li ZhongYao. Quasi-periodic scattering of topological edge states induced by the vacancies in chloridized gallium bismuthide nanoribbons. JOURNAL OF PHYSICS-CONDENSED MATTER, 2023, 35(25): 255302.
• 17. Li ZhongYao, Xue JianYuan. Tuning the Magnetic Anisotropy of Co-N-Doped Graphene. Physica Status Solidi-Rapid Research Letters, 2023, 17(7): 2300021.
• 18. Sun XiangYu, Li ZhongYao, Yang Ke. Fe- and Co-Doped Tungsten Disulfide Monolayers: 2D Ferromagnetic Half-Metals at Room Temperature. Physica Status Solidi-Rapid Research Letters, 2022, 16(5): 2100611.
• 19. Liu JingYi, Li ZhongYao. Tuning the Bandgap of Topological Edge States by Inclined-Electric Field. Physica Status Solidi-Rapid Research Letters, 2022, 16(6): 2200022.
• 20. Liu YaNan, Li ZhongYao. Bi2Se3/Bi2Se3 and TlSe/TlSe junctions: enhanced coupling of topological interface states by intercalation. JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2021, 54(2021): 345301.
• 21. Liu XiaoLin, Li ZhongYao. Dual Dirac points and odd-even oscillated energy gap in zigzag chlorinated stanene nanoribbon. JOURNAL OF PHYSICS-CONDENSED MATTER, 2021, 33(2021): 325303.
• 22. Li ZhongYao. Seeing the subtleties—Estimation and analysis of Rutherford’s atomic model. Popular Science (Science Education), 2021, 2021(2): 116.
• He has published more than 20 SCI academic papers as the first author or corresponding author, and a single article has been cited nearly 100 times. Many papers have been published in internationally renowned classical physics journals such as Phys. Rev. B, J. Phys.: Condens. Matter, J. Phys. D: Appl. Phys., etc. Research results link/personal website: https://orcid.org/0000-0002-3295-7718 Representative work: J. Phys. Chem. Lett. 6, 3269-3275 (2015): Electric Field and Strain Effect on Graphene-MoS2 Hybrid Structure: Ab Initio Calculations.

Courses

• Undergraduate courses: Atomic Physics, Solid State Physics, College Physics. Graduate course: Fundamentals of Materials Design Theory, etc.

Honors, Academic Service and Social Service

Honors and Service

• Council Member, 17th Council of the Shanghai Physical Society; selected as a Zhiyuan Scholar of University of Shanghai for Science and Technology (third cohort, 2018).