许晓培，女，1990.05，讲师，博士，研究生导师

研究方向：计算催化，计算物理。主要从事电催化，多相催化，计算模拟，分子动力学模拟等化量理论计算模拟研究。

E-mail：xuxiaopei@haut.edu.cn

主持项目：

国家自然科学基金青年基金1项，基于结构描述符的TMDs基析氢催化剂的构效关系和性能调控研究，2025.01-2027.12，主持，在研。

河南省自然科学基金青年基金1项，金属-非金属共掺杂的MoS₂基析氢催化剂的构效关系和性能调控，2024.01-2025.12，主持，在研。

河南工业大学国家自然基金培育项目支持计划1项，基于结构描述符的TMDs基析氢催化剂的构效关系和性能调控研究，2024.06-2026.06，主持，在研。

河南省科技厅自然科学项目（科技攻关）1项，过渡金属硫族化合物在碱性析氢反应中的构效关系和性能调控，2022.01-2023.12，主持，结项。

发表文章：

在Angewandte Chemie International Edition、Advanced Energy Materials、Nano Energy、Journal of Catalysis、Small Methods、Nanoscale、Applied Surface Science、International Journal of Hydrogen Energy等国际知名期刊发表SCI论文16篇，其中通讯作者1篇，第一作者8篇（含共同一作），总被引680余次（基于web of science 2024 年3月初的数据）。

1. L. Yang, H. Liu, Y. Li, L. Zhong, Z. Jin, X. Xu*, D. Cao*, Z. Chen*, Customizing Bonding Affinity with Multi-Intermediates via Interfacial Electron Capture to Boost Hydrogen Evolution in Alkaline Water Electrolysis, Angew Chem Int Ed Engl, (2024) e202414518.

2. Y. Li, L. Yang*, X. Hao, X. Xu, L. Xu, B. Wei*, Z. Chen*, Origin of Enhanced Oxygen Evolution in Restructured Metal-Organic Frameworks for Anion Exchange Membrane Water Electrolysis, Angew Chem Int Ed Engl, (2024) e202413916.

3. K. Cui, X. Tang, X. Xu, M. Kou, P. Lyu, Y. Xu*, Crystalline Dual-Porous Covalent Triazine Frameworks as a New Platform for Efficient Electrocatalysis, Angew Chem Int Ed Engl, (2023) e202317664.

4. X. Xu, Z. Peng, H. Xu*, D. Cheng*, Computational screening of nonmetal dopants to active MoS₂ basal-plane for hydrogen evolution reaction via structural descriptor, Journal of Catalysis, 416 (2022) 47-57.

5. X. Xu, H. Xu, D. Cheng*, Identification of the anti-triangular etched MoS₂ with comparative activity with commercial Pt for hydrogen evolution reaction, International Journal of Hydrogen Energy, 45 (2020) 33457-33465.

6. X. Huang^#, X. Xu^#, X. Luan, D. Cheng*, CoP nanowires coupled with CoMoP nanosheets as a highly efficient cooperative catalyst for hydrogen evolution reaction, Nano Energy, 68 (2020) 104332.

7. X. Xu, H. Xu, D. Cheng*, Design of high-performance MoS₂ edge supported single-metal atom bifunctional catalysts for overall water splitting via a simple equation, Nanoscale, 11 (2019) 20228-20237.

8. X. Huang^#, X. Xu^#, C. Li, D. Wu, D. Cheng*, D. Cao*, Vertical CoP nanoarray wrapped by N,P-doped carbon for hydrogen evolution reaction in both acidic and alkaline conditions, Advanced Energy Materials, 9 (2019) 1803970.

9. J. Zhang^#, X. Xu^#, L. Yang, D. Cheng*, and D. Cao*, Single-atom Ru doping induced phase transition of MoS₂ and S vacancy for hydrogen evolution reaction, Small Methods, (2019) 1900653.

10. X. Xu, Y. Zhang, Z. Yang*, High resistance to sulfur poisoning of Ni with copper skin under electric field, Physics Letters A, 381 (2017) 671-678.

11. X. Xu, Y. Zhang, Z. Yang*, Resistance to sulfur poisoning of Ni-based alloy with coinage (IB) metals, Applied Surface Science, 357 (2015) 1785-1791.