杜世萱
中国科学院物理研究所研究组组长、博士生导师
中国化学会高级会员
科技部重点研发计划首席科学家
国家杰出青年基金获得者 （2013）
2020.1—现在 中科院物理所纳米物理与器件实验室N11组工作，课题组组长
2009.7—2020.1 中科院物理所纳米物理与器件实验室N04组工作，研究员
2004.3—2009.6 中科院物理所纳米物理与器件实验室N04组工作，副研究员
2003.8—2004.2 美国橡树岭国家实验室，访问学者
2002.7—2003.7 中科院物理所纳米物理与器件实验室工作，助理研究员
1999.9—2002.7 北京师范大学固体物理与化学专业，理学博士
1996.9—1999.7 北京师范大学固体物理与化学专业，理学硕士
1988.9—1992.7 北京大学高分子材料专业，理学学士
2020：入选国家百千万人才工程
2019：“谢希德”物理奖；
2015：北京市科学技术奖
2013：中国科学院杰出科技成就奖
2013：中国青年女科学家奖
1、 固体表面纳米结构的组装机制及其物理化学性质
2、 新型低维量子体系的理论设计与物性研究
3、 低维纳米结构及其器件构造机制与物性
杜世萱研究员以基于密度泛函理论的第一性原理计算方法为主要研究手段，结合扫描隧道显微技术，对新型低维材料设计、界面特性与组装机制、以及功能单元结构物性等方面做了系统性的研究工作。在Science、Nature Materials、Nature Physics、Nature Communication等杂志发表SCI学术论文300余篇。
杜世萱研究员是中国科学院物理研究所纳米物理与器件实验室纳米结构及其器件的理论计算研究课题组（N11）组长、中国科学院大学物理科学学院岗位教授。她是科技部重点研发计划首席科学家，国家杰出青年基金获得者，入选国家百千万人才工程，获得过中国青年女科学家奖、“谢希德”物理奖，作为研究骨干获得中国科学院杰出科技成就奖等。
1. Zixuan Wei, Qigang Zhong, Jinbo Pan, FangHan Lim, Lifeng Chi, and Shixuan Du
“Two-Stage Machine Learning Framework for Accurate Discrimination of Isomers and Very-Similar Molecules on Surfaces”
Journal of the American Chemical Society 147, 39, 35232-35243 (2025)
2.Yongqian Zhu, Mingqiang Gu, Yuntian Liu, Xiaobing Chen, Yuhui Li, Shixuan Du, and Qihang Liu
“Sliding Ferroelectric Control of Unconventional Magnetism in Stacked Bilayers”
Phys. Rev. Lett. 135, 056801 (2025).
3. Yongqian Zhu, Jia-Tao Sun , Jinbo Pan, Jun Deng, and Shixuan Du
“Enforced Symmetry Breaking for Anomalous Valley Hall Effect in Two-Dimensional Hexagonal Lattices”
Phys. Rev. Lett. 134, 046403 (2025).
4. Sifan You, Yixuan Gao, Yanning Tang, Chaojie Xu, Jing He, Xuechao Li, Haiming Zhang, Shixuan Du and Lifeng Chi
“Identifying Carbon–Carbon Triple Bonds from Double Bonds via Single-Molecule Conductance”
ACS Nano 19, 4, 4622-4628 (2025).
5. Peixuan Li, Lei Gao, Lei Tao, Jinbo Pan, Fang Han Lim, Yan-Fang Zhang, and Shixuan Du
“Semiconducting Scandium/Yttrium Chalcohalides: Promising Visible-Light-Driven Photocatalysts for Overall Water Splitting”
ACS Catal. 15, 4533 (2025).
6. Jingyu Yang, Jinbo Pan, Shixuan Du
“Understanding Surface/Interface-Induced Chemical and Physical Properties at Atomic Level by First Principles Investigations”
WIREs Comput Mol Sci. 15, e70030 (2025).
7. Yuhui Li, Guolin Wan, Yongqian Zhu, Jingyu Yang, Yan-Fang Zhang, Jinbo Pan & Shixuan Du
“High-throughput screening and machine learning classification of van der Waals dielectrics for 2D nanoelectronics”
Nature Communications, 15, 9527 (2024).
8. Jingyu Yang, Jinbo Pan, Jun Deng, Yan-Fang Zhang, Yuhui Li, Yongqian Zhu, Guolin Wan, and Shixuan Du
“Vacancy-Induced Anionic Electrons in Single-Metal Oxides and Their Possible Applications in Ammonia Synthesis”
Journal of the American Chemical Society 146, 21160−21167 (2024).
9. Yan-Fang Zhang, Hao Guo, Yongqian Zhu, Shunuo Song, Xudan Zhang, Wanhao Luo, Yu-Yang Zhang, Shixuan Du
“Emerging Multifunctionality in 2D Ferroelectrics: ATheoretical Review of the Interplay With Magnetics,Valleytronics, Mechanics, and Optics”
Advanced Functional Materials, 2410240 (2024).
10. Jinbo Pan, Yan-Fang Zhang, Yu-Yang Zhang, and Shixuan Du
“Engineering Two-Dimensional Magnetic Heterostructures: A Theoretical Perspective”
Nano Lett. 24, 47, 14909-14923 (2024).
11.Xudan Zhang, Guolin Wan, Jie Zhang, Yan-Fang Zhang, Jinbo Pan, and Shixuan Du
“Eliminating Skyrmion Hall Effect in Ferromagnetic Skyrmions”
Nano Lett. 2024, 24, 10796−10804 (2024).
12. Peixuan Li, Lei Tao, Xin Jin, Guolin Wan, Jie Zhang, Yan-Fang Zhang, Jia-Tao Sun, Jinbo Pan, and Shixuan Du
“Nonvolatile Multistate Manipulation of Topological Magnetism in Monolayer CrI3 through Quadruple-Well Ferroelectric Materials”
Nano Lett. 24, 2345-2351 (2024).
13. Yuan Wang, Lei Tao, Roger Guzman, Qing Luo, Wu Zhou, Yang Yang, Yingfen Wei, Yu Liu, Pengfei Jiang, Yuting Chen, Shuxian Lv, Yaxin Ding, Wei Wei, Tiancheng Gong, Yan Wang, Qi Liu, Shixuan Du, Ming Liu
“A stable rhombohedral phase in ferroelectric Hf(Zr)1+xO2 capacitor with ultralow coercive field”
Science 381 558-563 (2023).
14. J Yang, J Deng, J Pan, Y Zhu, YF Zhang, Y Li, JT Sun, S Du
“1D Van der Waals Polymers with Nonlinear Optical Performance Approaching Theoretical Upper Limit”
Advanced Functional Materials, 2305731 (2023).
15. Jun Deng, Jinbo Pan, Yan-Fang Zhang, and Shixuan Du
“Database Construction of Two-Dimensional Charged Building Blocks for Functional-Oriented Material Design”
Nano Lett. 23, 4634 (2023).
16. Yuhui Li, Jun Deng, Yan-Fang Zhang, Xin Jin, Wen-Han Dong, Jia-Tao Sun, Jinbo Pan and Shixuan Du
“Nonvolatile electrical control of spin polarization in the 2D bipolar magnetic semiconductor VSeF”
npj Computational Materials 9, 50 (2023).
17. Sun Jiaqiang, Tao Lei, Ye Chenliang, Wang Yu, Meng Ge, Lei Hengyuan, Zheng Shenke, Xing Chuang, Tao Xin, Wu Pengfei, Chen Jiangang, Du Shixuan, Wang Dingsheng, Li Yadong
“MOF-Derived Ru1Zr1/Co Dual-Atomic-Site Catalyst with Promoted Performance for Fischer–Tropsch Synthesis”
Journal of the American Chemical Society 145, 13, 7113-7122, (2023).
18. 更多详见 http://n11.iphy.ac.cn/cgfb/