张驿荣，中共党员，讲师，2025年11月于南京理工大学获得工学博士学位。主要研究方向为分子信息材料与器件，结合第一性原理计算与扫描隧道显微镜裂结技术，系统探索金属-分子体系表界面调控机制和输运特性。以第一/共一作者身份在Advanced Materials、Advanced Functional Materials等国际知名期刊发表多篇SCI论文。作为主要参与人参与国家自然科学基金面上项目和中央高校自主科研专项各1项。

联系方式：zhangyirong1@sxnu.edu.cn

办公地点：北区数理楼404B室

代表性论文：

(1) Yirong Zhang^#, Sha Yang^#*, Yang Yang, Ji-Chang Ren, Christopher J. Butch, Lin Wang, Wei Liu*, Rapid Prediction of Energy Level Alignment and Conductance of Single-Molecule Junctions Through Intramolecular Dipole Moment, Advanced Functional Materials, 2024, 34, 40, 2403836.

(2) Yirong Zhang^#, Sha Yang^#*, Junjun Zhou, Guolin Cao, Ji-Chang Ren, Yusheng Li, Wei Liu*, Synergetic Control of Single-Molecule Proton Transfer: Electrode Geometry Meets Solvent Proton Activity, Small Methods, 2026, 10, 5, e02403.

(3) Yazhou Shuang^#, Yirong Zhang^#, Hongkang Wang, Longyang Li, Xueli Hao, Zelin Ma, Shiyuan Wang, Jiulong Wang, Fang Wang, Xiubo Yang, Pengfei Guo, Fei Xu, Hongyue Wang, Qian Ye, Wei Liu*, Jie Jian*, Hongqiang Wang*, Proton-Mediated Topological Interlayer Shift in 2D Covalent Organic Frameworks for Efficient Photocatalysis, Advanced Materials, 2025, 37, 24, 2500468.（#共同一作，理论部分完成人）

(4) Xianjing Xie^#, Yirong Zhang^#, Junrui Zhang, Xingyuan Cui, Wei Liu*, Xunshan Liu*, Regularly Tuning Quantum Interference in Single-Molecule Junctions through Systematic Substitution of Side Groups with Varied Electron Effects, Chinese Journal of Chemistry, 2024, 42, 11, 1217.（#共同一作，理论部分完成人）

(5) Sha Yang^#*, Yirong Zhang^#, Wei Liu*, Mechanistic insights into the halogenated solvent effect on the Au-S bond cleavage, Chemical Communications, 2026, 62, 5, 1529.（导师一作，本人共一）

(6) Junjun Zhou, Sha Yang, Yirong Zhang, Ji-Chang Ren*, Wei Liu*, Effective Descriptor for Screening Single-Molecule Conductance Switches, Journal of the American Chemical Society, 2024, 146, 10, 6962.

(7) Sha Yang*, Junjun Zhou, Yirong Zhang, Guolin Cao, Ji-Chang Ren, Wei Liu*, A Predictive Descriptor for the d-Band Center in Intermetallic Alloys Accelerates the Design of Robust Molecular Switches, Chemical Science, 2026, 17, 10, 5229.

(8) Guolin Cao, Shiyu He, Yirong Zhang, Sha Yang, Shuang Li, Yusheng Li, Ji-Chang Ren*, A Data-Driven Framework for Efficient and Physically Interpretable Prediction of RPA-Level Adsorption Energies, Materials Today Electronics, 2025, 14, 100184.