以低维尺度的半导体材料为研究对象，揭示半导体材料在原子尺度上的物理图像及机制，研究探索新型半导体材料的光电磁等性质，在此基础上设计一些新的信息功能材料，为进一步的自旋电子学器件的设计和生产提供理论依据和指导。相关工作发表SCI期刊论文60余篇，其中以第一作者或通讯作者在Nano Letter、J. Phys. Chem. Lett、Nanoscale、J. Mater. Chem. C、Appl. Phys. Lett等SCI期刊发表论文30余篇，所发表的论文SCI他引超过1500次。

代表性论文(第一作者和通讯作者)：  

(1)    Fang Wu, Chengxi Huang, Haiping Wu, Changhoon Lee, Kaiming Deng, Erjun Kan and Puru Jena, "Atomically Thin Transition-Metal Dinitrides: High-Temperature Ferromagnetism and Half-Metallicity", Nano Letter, 15, 8277 (2015).

(2)    Fang Wu, Yunfei Liu, Guanxia Yu, Dingfeng Shen, Yunlu Wang, Erjun Kan, "Visible-Light-Absorption in Graphitic C3N4 Bilayer: Enhanced by Interlayer Coupling" J. Phys. Chem. Lett., 3, 3330 (2012).

(3)    Fang Wu, Jing Huang, Qunxiang Li, Kaiming Deng and Erjun Kan, "Coexistence of metallic and insulating-like states in graphene", Scientific Reports, 5, 8974 (2015).

(4)    Qiushi Yao,Min Lu, Yongping Du, Fang Wu*, Kaiming Deng*, Erjun Kan*, "Designing half-metallic ferromagnetism by a new strategy: an example of superhalogen modified graphitic C3N4", Journal of Materials Chemistry C, 6, 1709 (2018).

(5)    Zhen Ma, Fangfang Wang, Min Dou, Qingnian Yao, Fang Wu*, Erjun Kan, "Boosting the high-capacity with multi-active centers: A first-principle investigation of NiPS3 monolayer as an anode material", Appl. Surf. Sci., 495, 143534(2019).

(6) Zhen Ma, Fang Wu,* Yunfei Liu, and Erjun Kan, "Giant Band Gap Reduction and Insulator−Metal Transition in Two-Dimensional InX (X = Cl, Br, I) Layers", J. Phys. Chem. C, 123, 21763(2019).

(7) Fangfang Wang; Liyu Zhou; Zhen Ma; Mingxue He; Fang Wu*; Yunfei Liu, "First-principles Investigations of Magnetic Semiconductors: An example of Transition Metal Decorated Two-dimensional SnS Monolayer", Nano materials , 8, 789(2018).

(8) Fangfang Wang, Qiushi Yao, Liyu Zhou, Zhen Ma, Mingxue He, Fang Wu*, "Theoretical understanding of SnS monolayer as Li ion battery anode material", J. Phys. Chem. Solids, 121, 261(2018).

(9)    Fang Wu, Kang Luo, Chengxi Huang, Wenjuan Wu, Peiwen Meng, Yunfei Liu and Erjun Kan, "Magnetic and electronic properties of frustrated spin dimer compound K2Fe2B2O7: A first-principles calculation", Solid State Communications, 222, 9 (2015).

(10)  Fang Wu, Peiwen Meng, Kang Luo, Yunfei Liu and Erjun Kan, "Reduction of defect-induced ferromagnetic stability in passivated ZnO nanowires", Chin. Phys. B, 24, 037504 (2015).

(12) Fang Wu, Erjun Kan, Xiaojun Wu, "Density functional predictions of new silicon allotropes: Electronic properties and potential applications to Li-battery anode materials", Nanoscale, 3, 3620 (2011).

(13)  Fang Wu, Erjun Kan, Zhenyu Li, "Density functional predictions of new silicon allotropes: Electronic properties and potential applications to Li-battery anode materials", Solid. State. Comm, 151, 1228(2011).

(14)  Fang Wu, Erjun Kan, Hongjun Xiang, Su-Huai Wei, M. –H. Wahgnbo, and Jinlong Yang, "Magnetic states of zigzag graphene nanoribbons from first principles", Appl. Phys. Lett, 94, 223105 (2009).

(15)  Fang Wu, Erjun Kan, and M. H. Wahgnbo, "On the importance of the interplaquette spin exchanges in Na3RuO4: Density functional theory analysis of the spin exchange and magnetic properties". Inorg. Chem, 49, 3025(2010).

(16)  Fang Wu, Erjun Kan, Chuan Tian, and M. –H. Wahgnbo, "Theoretical analysis of the spin exchange and magnetic dipole-dipole interactions leading to the magnetic structure of Ni3TeO6", Inorg. Chem, 49, 7545(2010).

(17)  Fang Wu, Xiangjun Chen, Xu Shan, Shanxi Tian, Zhongjun Li, and Kezun Xu, "Conformational Stability of 1-butene: An electron momentum spectroscopy investigation", J. Phys. Chem. A, 112, 4360(2008).

(18)  Fang Wu, Guanxia Yu, Ding Yu, Erjun Kan, "First-principles investigations on the magnetic structure of α-NaMnO2", J. Phys.: Condens. Matter, 24, 456002 (2012).

(19)  Fang Wu, Erjun Kan, and Zhenyu Li, "First-principles investigations on the electronic and magnetic structure of PbMn(SO4)2", Front. Phys. China, 6, 96 (2011).

(20)  Fang Wu, Richard Tjornhammar, Erjun Kan, and  Zhenyu Li, "A first-principles study on the electronic structure of one-dimensional [TM(Bz)]∞ polymer (TM= Y, Zr, Nb, Mo, and Tc", Front. Phys. China, 4, 403(2009).

(21) Zhen Ma, Fengsheng Sun, Min Dou, Qingnian Yao, Yunfei Liu, Fang Wu*, "Are transition-metal borides promising for Na ion batteries? Afirst-principles study on transition-metal boride monolayer", Physics Letters A, 384, 126282(2020).

(22) Qingnian Yao, Min Dou, Yunfei Liu, Fang Wu*, "High-efficient hydrogen purification through two-dimensional CrI3 membrane via a first-principles calculation", Applied Surface Science, 529, 147024(2020).

(23) Lei Ji, Yun Wang, Yanqiu Zheng, Zhe Wang, Jiabao Wang, Yunfei Liu, and Fang Wu*, "Transformation of CrSe Monolayers into Room-Temperature Half Metals via Chemical Edge Modification", J. Phys. Chem. C, 125, 15664(2021).

(24) Min Dou, Huan Li, Qingnian Yao, Jiabao Wang, Yunfei Liu and Fang Wu*, "Room-temperature ferromagnetism intwo-dimensional transition metal borides:a first-principles investigation", Phys. Chem. Chem. Phys., 23, 10615(2021).

(25) Fengsheng Sun, Yun Wang, Lei Ji, Ji Chen, Fang Wu*, "Improved performances of Cr2N monolayer as electrode of lithium ion battery through surface termination: A first-principles calculation", J. Phys. Chem. Solids, 168, 110794(2022).

(26) Yanqiu Zheng, Yun Wang, Zhe Wang, Xiang Li, Yu Liang, Chengxi Huang,* and Fang Wu*, "Prediction of Room-Temperature Ferromagnetic Semiconductors in CrMoA2B2 (A = Se and Te; B = Br and I) Monolayers", J. Phys. Chem. C, 126, 17390(2022).

(27) Yanqiu Zheng, Yu Liang, Zhe Wang, Yun Wang, Xiang Li, Jiale Yu, Cheng Zhan,*, Fang Wu*,"A theoretical investigation on the two-dimensional Fe/Mn tricarbides (XC3) as promising electrode materials for lithium-ion batteries", J. Phys. Chem. Solids, 182, 111572(2023).

(28) Yun Wang, Yanqiu Zheng, Zhe Wang, Xiang Li, Yu Liang, Han Yan, Fang Wu*, "Theoretical prediction of two-dimensional Cr3C2 monolayer and its derivatives as potential electrode of Li-ion batteries", Comput. Mater. Sci., 226, 112201(2023).

(29) Zhe Wang, Yanqiu Zheng, Ji Chen, Yun Wang, Yu Liang, Xiang Li and Fang Wu*, "Room-temperature half-metals induced via chemical surface modification: 2D Mn2Se2 monolayer", Phys. Chem. Chem. Phys., 25, 14294(2023).

(30) Jiale Yu, Yun Wan, Xiang Li, Fang Wu*, "Theoretical Investigation of 2D M3C2S2 (M=Cr, Zr) as Potential Electrode Materials for Li‑Ion Batteries", J. Electron. Mater., 53, 1083(2024).

 1、国家自然科学基金面上项目，低维本征磁性半导体的理论研究，2021.01-2024.12，62万， 主持

2、国家自然科学基金面上项目，原子层厚度的二维过渡金属化合物材料的理论设计，2015.1～2018.12，80万，主持  

3、国家自然科学基金青年项目，d0半导体纳米材料中磁性来源以及增强的物理机制研究，2013.1～2015.12，22万，主持  

4、江苏省自然科学基金面上项目，高温二维单原子层磁性材料的研究，2013.6～2016.12，10万，主持  

5、江苏省高校自然科学基金，金属-有机分子化合物作为高密度信息存储材料的研究，3万，主持  

6、南京林业大学杰出青年基金，2017.1～2020.12，25万，主持  

社会服务与学术活动  

Nanoscale、J. Mater. Chem. C 等多个学术杂志审稿人。

1、2016年入选江苏省“333”高层次人才工程  

2、2015年入选江苏省六大人才高峰  

3、2012年荣获江苏省青蓝工程优秀骨干教师称号  

4、2018年入选南京林业大学杰出青年学者培养计划  

5、2012年入选南京林业大学人才  

本科生课程《电路原理B》、研究生课程《集成电路设计与EDA》