吴宇宁

2006 - 2012                物理学博士，美国佛罗里达大学

2002 - 2006                物理学学士, 中国科学技术大学

物理与电子科学学院电子科学系，青年研究员。2012年8月获美国佛罗里达大学物理学博士学位，随后先后在范德堡大学、佛罗里达大学、美国能源技术国家实验室从事博士后研究。主要从事半导体材料与器件的第一性原理模拟和计算方法的开发，包括基于缺陷性质研究半导体的电学和光学性质、缺陷参与的激发态载流子动力学过程、电子器件的可靠性等。

1.半导体缺陷物性的模拟与调控

2.电子、光电器件及量子色心等体系的激发态载流子动力学过程

3.辐照条件下半导体的损伤机理

4.新型铁电材料性质的缺陷和掺杂效应

《量子力学》、《计算材料学》

主持：

1. 国家自然科学基金委面上项目 在研 2025-2028

2. 上海市教委科研项目 在研

3. 上海市科委基础研究计划项目 在研

参与：

科技部重点研发计划项目 在研 2023-2027

结题：

国家自然科学基金委青年项目 主持 2023-2025

Web of Science 个人页：

https://webofscience.clarivate.cn/wos/author/record/AGG-4664-2022

主要学术期刊论文：

2026年

1. C Pan, D Sun, Z Lin, X Niu, YN Wu, “Coexistence of Ohmic Contact and Fermi Level Pinning at 2D  Electride/2D Semiconductor Interfaces”, Journal of the American Chemical Society 148 (1), 1655–1661 (2026)

2025年

1. C Pan, J Lv, D Sun, Z Lin, Z Niu, X Zhang, X Niu, YN Wu, “Layer-Dependent Asymmetric Dipoles Induced Formation of Atomically Thin p–n Junctions” , Nano Letters 25 (49), 17185-17193 (2025)

2. Z Zheng, F Zheng, YN Wu, S Chen, LW Wang, “A Generalized Bond Switching Monte Carlo method for amorphous structure generation”, Computational Materials Today 6, 100031 (2025)

3. R Bai, Z Lin, M Huang, S Wang, S Chen, YN Wu, “Identification of luminescent defects in wide-bandgap semiconductors using first-principles”, Journal of Physics: Condensed Matter 37 (29), 293001 (2025)

4. R Bai, P Guo, S Yu, Z Cai, S Chen, YN Wu, “Excited-State Carrier Dynamics in Knock-on Damage of Monolayer MoS2 from First Principles”, The Journal of Physical Chemistry Letters 16, 3809-3815 (2025)

5. C Pan, D Sun, X Niu, YN Wu, "Degradation of Sliding Ferroelectricity Induced by Environmental Gas Molecules: Case of Bilayer WS2", Small 2411307 (2025)

6. R Bai, D Liu, S Chen, YN Wu, “Origin of the unidentified color centers in 4H-SiC from first-principles” Physical Review B 111 (1), 014106 (2025)

7. W Liu, P Guo, Z Zheng, S Chen, YN Wu, “Neural-Network Potential for Defect Formation Induced by Knock-On Irradiation Damage in 4H-SiC” Advanced Electronic Materials 2400911 (2025)

8. H Li, C Pan, Z Zheng, F Sui, B Liu, T Jia, R Qi, F Yue, YN Wu, “Comparative study of doping properties and the effect on sliding barriers in γ-InSe” Journal of Applied Physics 137 (9) 095701 (2025)

2024年

1. F Sui et al. “Atomic-level polarization reversal in sliding ferroelectric semiconductors” Nature Communications 15 3799 (2024)

2. S Yan, K Wang, Z Guo, YN Wu, S Chen “SiX2 (X = S, Se) Nanowire Gate-All-Around MOSFETs for Sub-5 nm Applications” Nano Letters 24 (20), 6158-6164 (2024)

3. S Yan, K Wang, Z Guo, YN Wu, S Chen “Tunneling field-effect transistors with two-dimensional BiN as the channel semiconductor” Applied Physics Letters 124, 143502 (2024)

5. P Guo, C Song, YN Wu, S Chen “Temperature Effect on GaN Threshold Displacement Energy Under Low‐Energy Electron Beam Irradiation” Advanced Electronic Materials 10 (8), 2400014 (2024)

6. C Pan, A Shi, X Zhang, YN Wu, Y Li, X Niu “Two-dimensional electron gas on the surface of alkali-earth metal based electrides: Assistance to overcome tunneling barriers in ohmic contacts” Physical Review B 110 (8), 085406 (2024)

2023年

1. Z. Du, Y. Lai, R. Bai, B. Wang, Q. Zheng, C. Xu, T. Lu, J. Pei, W. Li, Y.-N. Wu*, K. Liu, Y. Liu, E. Fu, J.-F. Li*, Y. Yang*, Q. Li*, Robust Thermal Neutron Detection by LiInP2Se6 Bulk Single Crystals. Adv. Mater. 35, 2212213 (2023)

2. S. Yu, Z. Cai, D. Sun, Y.-N. Wu, S. Chen, Defect MoS Misidentified as MoS2 in MonolayerMoS2 by Scanning Transmission Electron Microscopy: A First-Principles Prediction, J. Phys. Chem. Lett. 14, 1840-1847 (2023)

3. C Song, L Jiang, YN Wu, S Chen “Neural-Network Potential Simulation of Defect Formation Induced by Knock-On Irradiation Damage in GaN” Advanced Electronic Materials 9 (8), 2300158 (2023)

4. F. Geng, Y.-N. Wu, D. Splith, L. Wang, X. Kang, X. Chen, P. Guo, S. Liang, L. Yang, M. Lorenz, M. Grundmann*, J. Zhu*, and C. Yang*, Amorphous Transparent Cu(S,I) Thin Films with Very High Hole Conductivity. J. Phys. Chem. Lett. 14, 6163-6169 (2023)

2022年

1. S. Wang, M. Huang, Y.-N. Wu* and S. Chen*, Formation of Bi-Bi Dimers in Heavily Bi-doped Lead Halide Perovskites: Origin of Carrier Density Saturation, Phys. Rev. Appl. 17, 024024 (2022)

2. Z.-L. Xu, C. Yang and Y.-N. Wu*, Temperature-Dependent Electronic Structure of γ-phase CuI: First-Principles Insights, J. Phys.: Condens. Matter 34, 134002 (2022)

3. S. Qiao#, Y.-N. Wu#, X. Yan, B. Monserrat, S.-H. Wei and B. Huang, Temperature Effect on Charge-state Transition Levels of Defects in Semiconductors, Phys. Rev. B 105, 115201 (2022)

4. D. Liu, Z. Cai, Y.-N. Wu* and S. Chen*, First-Principles Identification of VI+Cui Defect Cluster in Cuprous Iodide: Origin of Red Light Photoluminescence, Nanotechnology 33, 195203 (2022)

5. S. Yan, J. Wei, S. Wang, M. Huang, Y.-N. Wu*, S Chen*, Defect Physics of the Quasi-two-dimensional Photovoltaic Semiconductor GeSe. Chinese Physics B 31, 116103 (2022)

6. S. Wang, M. Huang, Y.-N. Wu, W. Chu, J. Zhao, A. Walsh, X.-G. Gong, S.-H. Wei, S. Chen*, Effective Lifetime of Non-equilibrium Carriers in Semiconductors from Non-adiabatic Molecular Dynamics Simulations. Nat. Comput. Sci. 2, 486-493 (2022)

2021年

1. J. Wei, L. Jiang, M. Huang, Y.-N. Wu* and S. Chen*, Intrinsic Defect Limit to the Growth of Orthorhombic HfO₂ and (Hf,Zr)O₂ with Strong Ferroelectricity: First-Principles Insights, Adv. Funct. Mater. 31, 2104913 (2021)

2. M. Huang, S.-S. Wang, Y.-N. Wu* and S. Chen*, Defect Physics of Ternary Semiconductor ZnGeP2 with High Density of Anion-Cation Antisites: A First-Principles Study, Phys. Rev. Appl. 15, 024035 (2021)

3. Z. Cai, Y.-N. Wu* and S. Chen*, Energy-Dependent Knock-on Damage of Organic–Inorganic Hybrid Perovskites under Electron Bam Iradiation: First-Pinciples Isights, Appl. Phys. Lett. 119, 123901 (2021)

4. S. Wang, M. Huang, Y.-N. Wu* and S. Chen*, Absolute Volume Deformation Potentials of Inorganic ABX3 Halide Perovskites: The Chemical Trends, Adv. Theory Simul. 4, 2100060 (2021)

4. L. Cai, S. Wang, M. Huang, Y.-N. Wu* and S. Chen*, First-Pinciples Identification of Deep Energy Levels of Sulfur Impurities in Silicon and Their Carrier Capture Cross Sections, J. Phys. D: Appl. Phys. 54, 335103 (2021)

5. T. Zhang, Y.-N. Wu* and S. Chen*, Bandgap Engineering through Halide Double-Perovskite Alloys: A High-Throughput First-Principles Study, phys. status solidi RRL 15, 2100343 (2021)

2020年之前

1.Y.-N. Wu, WA Saidi, J Wenschell, T Tadano, P Ohodnicki, B Chorpening, and Y Duan, “Anharmonicity Explains Temperature Renormalization Effects of the Band Gap in SrTiO₃”, The Journal of Physical Chemistry Letters, 11, 2518 (2020)

2.CM Dai, T Zhang, Y.-N. Wu*, S Chen*, “Halide Double‐Perovskite Light‐Emitting Centers Embedded in Lattice‐Matched and Coherent Crystalline Matrix”, Advanced Functional Materials, 2000653 (2020)

3.CM Dai, P Xu, M Huang, Z Cai, D Han, Y.-N. Wu*, S Chen*, “NaSbSe₂ as a promising light-absorber semiconductor in solar cells: First-principles insights”, APL Materials, 7, 081122 (2019)

4.Y.-N. Wu, WA Saidi, P Ohodnicki, B Chorpening, and Y Duan, “First-Principles Investigations of the Temperature Dependence of Electronic Structure and Optical Properties of Rutile TiO₂”, The Journal of Physical Chemistry C 122 (39), 22642 (2018)

5.N Huo, Y Yang, Y.-N. Wu, XG Zhang, ST Pantelides, and G Konstantatos, “High carrier mobility in monolayer CVD-grown MoS 2 through phonon suppression”, Nanoscale 10 (31), 15071 (2018)

6.Y.-N. Wu, X.-G. Zhang, and S. T. Pantelides, “Fundamental Resolution of Difficulties in the Theory of Charged Point Defects in Semiconductors”, Physical Review Letters 119 (10), 105501 (2017)

7.Y.-N. Wu, X.-G. Zhang, and S. T. Pantelides, “First-principles calculations reveal controlling principles for carrier mobilities in semiconductors”, Semiconductor Science and Technology, 31 (11), 115016 (2016)

8.J.P. Trinastic, R. Hamdan, Y.-N. Wu, L. Zhang  and H.-P. Cheng, “Unified interatomic potential and energy barrier distributions for amorphous oxides”, The Journal of Chemical Physics, 139 (15),  154506 (2013)

9.Y.-N. Wu, X.-G. Zhang, and H.-P. Cheng, “Giant Molecular magnetocapacitance”, Physical Review Letters110, 217205 (2013).

10.Y.-P. Wang, X.-F. Han, Y.-N. Wu, and H.-P. Cheng, “Adsorption of tris (8-hydroxyquinoline) aluminum molecules on cobalt surfaces”, Physical Review B, 85, 144430 (2012).

11.Y.-N. Wu, N. Kebaïli, H.-P. Cheng, A. Masson, and C. Bréchignac, “Enhancement of Ag cluster mobility on Ag surfaces by chloridation”, Journal of Chemical Physics,137, 184705 (2012).

12.Y.-N. Wu,M. Schmidt,J. Leygnier,H.-P. Cheng,A. Masson, and C. Bréchignac, “Adsorption of small molecules on silver cluster”, Journal of Chemical Physics,136, 024314 (2012).

13.Y.-N. Wu, L. Li and H.-P. Cheng, “First-principles studies of Ta₂O₅ polymorphs”, Physical Review B, 83, 144105 (2011).

14.C. Cao, Y.-W. Chen, Y.-N. Wu, E. Deumens and H.-P. Cheng, “OPAL: A multiscale multicenter simulation package based on MPI-2 protocol”, International Journal of Quantum Chemistry, 111, 4020 (2011).

15.C. Cao, Y.-N. Wu, R. Hamdan, Y. Wang and H.-P. Cheng, “Accurate projected augmented wave datasets for BaFe₂As₂”, New Journal of Physics,12, 123029 (2010).

16.L. Tang, X. Zhang, QM Guo, Y.-N. Wu, L.-L. Wang and H.-P. Cheng, “Two bonding configurations for individually adsorbed C-60 molecules on Au(111)”, Physical Review B, 82, 125414 (2010).

17.L. Li, Y.-N. Wu and H.-P. Cheng, “First-principles calculations of Fe-doped monolayer C-60 on h-BN/Ni(111) surface”, Journal of Chemical Physics, 132, 074702 (2010).

上海市教委特聘教授、上海市海外高层次人才