◎ 研究方向 二维材料X射线光谱计算方法发展与应用 研究领域:原子分子与光物理、凝聚态物理、量子化学
◎ 教育工作经历 2013.09-2017.06 山东师范大学 物理与电子科学学院 物理学(教育) 学士 2017.09-2020.06 山东师范大学 物理与电子科学学院 原子与分子物理 硕士 2020.09-2024.06 南京理工大学 物理学院 材料科学与工程 博士 2024.09至今 山东理工大学 物理与光电工程学院 讲师
◎ 主讲课程 《大学物理实验》
◎ 承担项目 江苏省研究生科研与实践创新计划,KYCX21_0290,二维材料XPS光谱计算方法发展与应用,2022.04-2023.05,主持, 结题。
◎ 论文 Jun-Rong Zhang‡, Sheng-Yu Wang‡ and Weijie Hua*, On the Core Hole Effect to Valence Excitations: Tracking and Visualizing the Same Excitation in XPS Shake-up and UV-absorption Spectra. Journal of Chemical Theory and Computation, 20(14), 6125–6133 (2024). Jun-Rong Zhang, Sheng-Yu Wang*, Minrui Wei, Qiang Fu, and Weijie Hua Effects of Structural Variations to X-ray Absorption Spectra of g-C3N4: Insights from DFT and TDDFT Simulations. Applied Physics Letters, 124 (14), 143101 (2024). Jun-Rong Zhang, Sheng-Yu Wang, Guoyan Ge, Minrui Wei, Weijie Hua* and Yong Ma*.On the Choice of Shape and Size for Truncated Cluster-based X-ray Spectral Simulations of 2D Materials. Journal of Chemical Physics, 157(9), 094704 (2022). Jun-Rong Zhang‡, Yong Ma‡, Yong Zhou, Xiu-Neng Song* and Chuan-Kui Wang.Predicting and Researching Adsorption Configurations of Pyridazine on Si(100) Surface by Means of X-ray Spectroscopies in Theory. Molecular Physics,118(12), e1679399 (2020). Jun-Rong Zhang‡, Yong Ma‡, Sheng-Yu Wang, Junfei Ding, Bin Gao, Erjun Kan and Weijie Hua*. Accurate K-edge X-ray Photoelectron and Absorption Spectra of g-C3N4Nanosheets by First-principles Simulations and Reinterpretations. Physical Chemistry Chemical Physics, 21(41), 22819-22830 (2019). Yang Xiao‡, Jun-Rong Zhang‡, Sheng-Yu Wang, and Weijie Hua*. Global Impact and Balancing Act: Deciphering the Effect of Fluorination on B1s Binding Energies in Fluorinated h-BNNanosheets, Precision Chemistry, 2(6), 239-244(2024). Hai-Bo Li, Jun-Rong Zhang*, Chuan-Kui Wang, Weijie Hua, and Yong Ma*, Structural Identification of Single Boron-Doped Graphdiynes by Computational XPS and NEXAFS Spectroscopy. Physical Chemistry Chemical Physics, 26, 17359-17369(2024). Jing Ming‡, Jun-Rong Zhang‡, Xiu-Neng Song, Xin Li, Weijie Hua*, and Yong Ma*. First-principles Simulation of X-ray Spectra of Graphdiyne and Graphdiyne Oxides at the Carbon K-edge.Physical Chemistry Chemical Physics, 25(47):32421. (2023).
|