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SCI论文三十余篇，近几年主要代表论文：

[1] Y. Pang, Z. Ding, A. Ma, G. Fan, H. Xu, Electroreduction of nitrate to ammonia on graphyne-based single-atom catalysts by combined density functional theory and machine learning study, Separation and Purification Technology, 2025, 354, 129422.

[2] Z. Wang, A. Ma, Z. Liu, Z. Ding, Y. Pang, G. Fan, H. Xu, Density functional theory study of transition metal dual-atom anchored phthalocyanine as high-performance electrocatalysts for carbon dioxide reduction reaction, Applied Surface Science, 2024, 669, 160532.

[3] Z. Wang, Z. Liu, A. Ma, X. Liu, F. Xu, D. Wu, F. Wu, H. Xu, G. Fan, Metal dimers anchored on boron nitride monolayers with boron divacancy as an effective nitrogen fixation electrocatalyst: A computational study, International Journal of Hydrogen Energy, 2024, 56, 55-65.

[4] A. Ma, Z. Ding, Y. Pang, G. Fan, H. Xu, Important structural parameter for curvature effect of TM-N4 embeded C70 fullerenes as electrocatalysts for CO2 reduction interpreted with machine learning and first-principles calculations, Surfaces and Interfaces, 2024, 54, 105233.

[5] Z. Liu, A. Ma, Z. Wang, C. Li, Z. Ding, Y. Pang, G. Fan, H. Xu, Single-cluster anchored on PC6 monolayer as high-performance electrocatalyst for carbon dioxide reduction reaction: First principles study, Journal of Colloid and Interface Science, 2024, 669, 600-611.

[6] Z. Liu, A. Ma, Z. Wang, Z. Ding, Y. Pang, G. Fan, H. Xu, Single-atom anchored on curved boron nitride fullerene surface as efficient electrocatalyst for carbon dioxide reduction, Molecular Catalysis, 2024, 559, 114040.

[7] Z. Ding, Y. Pang, A. Ma, Z. Liu, Z. Wang, G. Fan, H. Xu, Single-atom catalysts based on two-dimensional metalloporphyrin monolayers for electrochemical nitrate reduction to ammonia by first-principles calculations and interpretable machine learning, International Journal of Hydrogen Energy, 2024, 80, 586-598.

[8] F. Xu, D. Wu, Z. Wang, A. Ma, F. Wu, H. Xu, G. Fan, Synergistic effect and high performance of transition metal-anchored boron-doped graphyne electrocatalyst applied in the electroreduction of CO2 to C1 products: A DFT study, Applied Surface Science, 2023, 631, 157505.

[9] F. Xu, Z. Wang, Z. Liu, A. Ma, D. Wu, F. Wu, H. Xu, G. Fan, Coordination environment engineering of transition metal doped phthalocyanine single-atom catalysts for carbon dioxide reduction reaction: A DFT study, Molecular Catalysis, 2023, 550, 113617.

[10] F. Xu, X. Wang, X. Liu, C. Li, G. Fan, H. Xu, Computational screening of TMN4 based graphene-like BC6N for CO2 electroreduction to C1 hydrocarbon products, Molecular Catalysis, 2022, 530, 112571.

[11] X. Liu, C. Li, F. Xu, D. Wu, G. Fan, H. Xu, Transition metal atoms anchored on nitrogen-doped α-arsenene as efficient electrocatalysts for nitrogen electroreduction reaction, International Journal of Hydrogen Energy, 2022, 47, 29781-29793.

[12] C. Li, X. Liu, F. Xu, D. Wu, H. Xu, G. Fan, High-throughput screening of dual-atom doped PC6 electrocatalysts for efficient CO2 electrochemical reduction to CH4 by breaking scaling relations, Electrochimica Acta, 2022, 426, 140764.

[13] X. Wang, G. Fan, X. Tu, X. Liu, C. Li, H. Xu, Sc doped arsenene as adsorbent for the detection and removal of SF6 decomposition gases: A DFT study, Applied Surface Science, 2021, 552, 149449.

[14] G. Fan, Q. Wang, H. Xu, X. Wang, X. Tu, X. 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, 2021, 544, 148776.

[15] G. Fan, Q. Wang, X. Liu, C. Li, H. Xu, Computational screening of bifunctional single atom electrocatalyst based on boron nitride nanoribbon for water splitting, Applied Catalysis A: General, 2021, 622, 118235.