研究方向: 主要从事理论与计算化学研究，包括1）巨正则系综电化学模拟；2）第一性原理与机器学习势函数的复杂反应网络模拟。迄今共发表SCI论文47篇，其中以第一作者（含共一）发表论文18篇，以通讯作者发表论文1篇。开发了恒电势电化学模拟软件。主持博士后面上项目1项，国家自然科学基金青年项目1项，中国科学院赣江创新研究院高层次人才项目1项。

邮箱: hellozhaoming@outlook.com

工作经历

清华大学

2019.9 – 2022.9 博士后

南方科技大学

2022.11 – 2024.4 研究助理教授

中国科学院赣江创新研究院

2024.4 – 至今 副研究员

教育背景

西安交通大学 – 本科

2009.9 – 2013.6

环境科学与工程

西安交通大学 – 研究生

2013.9 – 2015.1

材料科学-光电催化

中科院应用物理研究所上海同步辐射光源 – 联合培养研究生

2016.11 – 2018.6

材料科学与工程 – 密度泛函理论模拟与同步辐射吸收谱分析

西安交通大学 – 博士研究生

2015.3 – 2019.6

材料科学与工程 – 密度泛函理论模拟

近年代表性研究成果

Xu Y.^#, Xia Z.^#, et al. Cation effect on the elementary steps of the electrochemical CO reduction reaction on Cu, Nat. Catal., 2024, 7(10), 1120-1129. (co-first author)

Xia Z., et al. Grand Canonical Ensemble Modeling of Electrochemical Interfaces Made Simple, J. Chem. Theory Comput., 2023, 19, 5168-5175.

l   Xia Z., et al. Single-atom catalysis enabled by high-energy metastable structures, Chem. Sci., 2023, 14, 2631-2639.

Shao F^#., Xia Z^#, et al. Insights into the interfacial Lewis acid–base pairs in CeO₂-loaded CoS₂ electrocatalysts for alkaline hydrogen evolution[J]. Angew. Chem. Int. Ed., 2023, 62, e202214210. (co-first author)

Xue Q.^#, Xia Z.^#, et al. Identification and Origination of the O*-Dominated-NiOOH Intermediates with High Intrinsic Activity for Electrocatalytic Alcohol Oxidation [J]. ACS Catal., 2022, 13, 400-406. (co-first author)

 Zhang S.*, Xia Z.*, et al. In-situ reconstruction of single-atom Pt on Co₃O₄ for hydrogenation[J]. Nano Energy, 2023,16, 6507-6511. (co-corresponding author)

Zhang S.^#, Xia Z.^#, et al. Spatial intimacy of binary active-sites for selective sequential hydrogenation-condensation of nitriles into secondary imines[J]. Nat. Commun., 2021, 12, 3382. (co-first author)

Zhang S.^#, Xia Z.^#, et al. Interfacial frustrated Lewis pairs of CeO₂ activate CO₂ for selective tandem transformation of olefins and CO₂ into cyclic carbonates[J]. J. Am. Chem. Soc. 2019, 141(29): 11353-11357. (co-first author)

Xia Z., et al. Size Dependent Adsorption of Styrene on Pd Clusters: A DFT Study, J. Phys. Chem. C, 2019, 123, 2182-2188.

Gao W.^#, Xia Z.^#, et al. Comprehensive Understanding of the Spatial Configurations of CeO₂ in NiO for the Electrocatalytic Oxygen Evolution Reaction: Embedded or Surface-Loaded, Adv. Funct. Mater., 2018, 1706056. (co-first author)

Xia Z., et al. Wavelet analysis of extended X-ray absorption fine structure data: Theory, application, Physica b, 2018, 542, 12-19.