职称/职务

副教授

研究方向

能源材料、催化反应机理、传感器、药物递送等的理论研究

邮箱

hongxu@ahut.edu.cn

学习工作经历

工作经历：

2014/03-至今，安徽工业大学，化学与化工学院，副教授

学习经历：

2007/09–2014/01，中国科学院大连化学物理研究所，催化基础国家重点实验室，物理化学，博士

2003/09–2007/07，山东师范大学，化学化工与材料科学学院，应用化学专业，学士

主要科研项目及成果

主持并完成国家自然科学基金1项(21403004)，参与国家自然科学基金(21403003)、安徽教育厅高校自然科学研究项目（2022AH050298）的研究。

发表的论文和参与的学术会议：

1. Fang Xu, Xiaohua Wang, Xin Liu, Chenyin Li, Guohong Fan and Hong Xu*. Computational screening of TMN4 based graphene-like BC6N for CO2 electroreduction to C1 hydrocarbon products. Molecular Catalysis 530, 112571, doi:10.1016/j.mcat.2022.112571 (2022). (SCI二区)

2. Xin Liu, Chenyin Li, Fang Xu, Dandan Wu, Guohong Fan and Hong Xu*. Transition metal atoms anchored on nitrogen-doped α-arsenene as efficient electrocatalysts for nitrogen electroreduction reaction. International Journal of Hydrogen Energy 47, 29781-29793, doi:10.1016/j.ijhydene.2022.06.305 (2022). (SCI二区)

3. Chenyin Li, Xin Liu, Fang Xu, Dandan Wu, Hong Xu* and Guohong Fan. High-throughput screening of dual-atom doped PC6 electrocatalysts for efficient CO2 electrochemical reduction to CH4 by breaking scaling relations. Electrochimica Acta 426, 140764, doi:10.1016/j.electacta.2022.140764 (2022). (SCI二区)

4. Chenyin Li, Xin Liu, Dandan Wu, Hong Xu* and Guohong Fan. Theoretical study of transition metal doped α-borophene nanosheet as promising electrocatalyst for electrochemical reduction of N2. Computational and Theoretical Chemistry 1213, 113732, doi:10.1016/j.comptc.2022.113732 (2022).

5. Xin Liu, Chenyin Li, Fang Xu, Guohong Fan and Hong Xu*. Density functional theory study of nitrogen-doped black phosphorene doped with monatomic transition metals as high performance electrocatalysts for N₂ reduction reaction. Nanotechnology 33, 245401, doi:10.1088/1361-6528/ac5929 (2022).

6. Hong Xu, Xianxian Tu, Xiaohua Wang, Xin Liu and Guohong Fan. Theoretical study of the adsorption and sensing properties of pure and metal doped C24N24 fullerene for its potential application as high-performance gas sensor. Materials Science in Semiconductor Processing 134, 106035, doi:https://doi.org/10.1016/j.mssp.2021.106035 (2021).

7. Guohong Fan, Xiaohua Wang, Xianxian Tu, Hong Xu*, Qi Wang and Xiangfeng Chu. Density functional theory study of Cu-doped BNNT as highly sensitive and selective gas sensor for carbon monoxide. Nanotechnology 32, 075502, doi:10.1088/1361-6528/abc57a (2020).

8. Guohong Fan, Qi Wang, Hong Xu*, Xiaohua Wang, Xianxian Tu and Xiangfeng Chu. Single Cr atom supported on boron nitride nanotubes for the reaction of N2O reduction by CO: A density functional theory study. Applied Surface Science 544, 148776, doi:https://doi.org/10.1016/j.apsusc.2020.148776 (2021). (SCI一区)

9. Xianxian Tu, Hong Xu*, Xiaohua Wang, Chenyin Li, Guohong Fan and Xiangfeng Chu. First-principles study of pristine and Li-doped borophene as a candidate to detect and scavenge SO2 gas. Nanotechnology 32, 325502, doi:10.1088/1361-6528/abfabc (2021).

10. Xianxian Tu, Hong Xu*, Chenyin Li, Xin Liu, Guohong Fan and Wenqi Sun. Adsorption performance of boron nitride nanomaterials as effective drug delivery carriers for anticancer drugs based on density functional theory. Computational and Theoretical Chemistry 1203, 113360, doi:https://doi.org/10.1016/j.comptc.2021.113360 (2021).

11. Xiaohua Wang, Guohong Fan, Xianxian Tu, Xin Liu, Chenyin Li and Hong Xu*. Sc doped arsenene as adsorbent for the detection and removal of SF6 decomposition gases: A DFT study. Applied Surface Science 552, 149449, doi:https://doi.org/10.1016/j.apsusc.2021.149449 (2021). (SCI一区)

12. Guohong Fan, Qi Wang, Xin Liu, Chenyin Li and Hong Xu*. Computational screening of bifunctional single atom electrocatalyst based on boron nitride nanoribbon for water splitting. Applied Catalysis A: General 622, 118235, doi:https://doi.org/10.1016/j.apcata.2021.118235 (2021). (SCI二区)

13. Hong Xu, Xianxian Tu, Guohong Fan, Qi Wang, Xiaohua Wang and Xiangfeng Chu. Adsorption properties study of boron nitride fullerene for the application as smart drug delivery agent of anti-cancer drug hydroxyurea by density functional theory. Journal of Molecular Liquids 318, 114315, doi:https://doi.org/10.1016/j.molliq.2020.114315 (2020). (SCI二区)

14. Qi Wang, Guohong Fan, Hong Xu*, Xianxian Tu, Xiaohua Wang and Xiangfeng Chu. C-doped boron nitride nanotubes for the catalysis of acetylene hydrochlorination: A density functional theory study. Molecular Catalysis 488, 110853, doi:https://doi.org/10.1016/j.mcat.2020.110853 (2020). (SCI二区)

15. Hong Xu, Long Li, Guohong Fan*, Xiangfeng Chu, DFT study of nanotubes as the drug delivery vehicles of Efavirenz. Computational and Theoretical Chemistry, 2018, 1131, 57-68.

16. Hong Xu, Qi Wang, Guohong Fan*, Xiangfeng Chu, Theoretical study of boron nitride nanotubes as drug delivery vehicles of some anticancer drugs. Theoretical Chemistry Accounts, 2018, 137, 104.

17. Hong Xu, Ke Ni, Xiaokun Li, Sheng Zhu, Guohong Fan*, Comparative studies of leached Pt‐Fe and Pt‐Co catalysts for CO oxidation reactions, Chinese Journal of Catalysis, 2017, 38, 1261–1269. (SCI一区)

18. Hong Xu, Ke Ni, Xiaokun Li, Guangzong Fang and Guohong Fan*, Structural transformation of Pd-α-Fe₂O₃ and Pd-γ-Fe₂O₃ catalysts and application in the CO oxidation reaction, RSC Advances, 2017, 7, 51403-51410.

19. Hong Xu, Ke Ni, Xiao-kun Li, Sheng Zhu, Guo-hong Fan*, First-principles study of CO catalytic oxidation on Pd-doped single wall boron nitride nanotube, Computational and Theoretical Chemistry, 2017, 1115, 37-44. 

20. Guohong Fan, Sheng Zhu, Ke Ni, Hong Xu*, Theoretical study of the adsorption of aromatic amino acids on a single-wall boron nitride nanotube with empirical dispersion correction, Canadian Journal of Chemistry, 2017, 95, 710-716.

21. Guo-hong Fan, Sheng Zhu, Xiao-kun Li, Ke Ni, Hong Xu*, Ab initio investigation of pristine and doped single-walled boron nitride nanotubes as acetone sensor, Computational and Theoretical Chemistry, 2017, 1115, 208-216.

22. Guohong Fan, Sheng Zhu, Hong Xu*, Density-functional theory study of the interaction mechanism and optical properties of flavonols on the boron nitride nanotubes, International Journal of Quantum Chemistry, 118, e25514 (2018).

23. Hong Xu, Qiang Fu*, Yunxi Yao and Xinhe Bao*, Highly active Pt–Fe bicomponent catalysts for CO oxidation in the presence and absence of H₂, Energy & Environmental Science, 2012, 5, 6313-6320. (SCI一区)

24. Hong Xu, Qiang Fu*, Xiaoguang Guo, and Xinhe Bao*, Architecture of Pt-Co bimetallic catalysts for catalytic CO oxidation, ChemCatChem, 2012, 4, 1645-1652.

25. Hong Xu, Qiang Fu*, and Xinhe Bao, Nanosized FeO_x overlayers on Pt-skin surfaces for low temperature CO oxidation, Chinese Journal of Catalysis, 2013, 34, 2029-2035.

26. Rentao Mu, Qiang Fu*, Hong Xu, Hui Zhang, Yuying Huang, Zheng Jiang, Shuo Zhang, Dali Tan, and Xinhe Bao*, Synergetic Effect of Surface and Subsurface Ni Species at Pt-Ni Bimetallic Catalysts for CO Oxidation, Journal ofthe American Chemical Society, 2011, 133, 1978-1986.