郑红


研究领域（方向）
1. 计算化学与分子设计；
2. 碳纳米材料的理论研究；
3. 过渡金属化合物的催化性质的理论研究。
个人及工作简历
教育背景：
起止时间 毕业院校与专业 学位
2009.03-2012.12 西安交通大学材料科学与工程专业 博士
2006.09-2009.01 西安交通大学应用化学系 硕转博
2002.09-2006.07 西安交通大学应用化学系 学士
工作经历：
起止时间 工作单位 职位
2019.03-至今 西安交通大学电气学院 副教授、特聘研究员
2017.10-2019.03 日本（国立）分子科学研究所 Research Associate
2014.08-2017.09 日本京都大学福井谦一研究所 Research Associate
2012.12-2014.07 西安交通大学理学院 博士后
科研项目
起止时间 项目性质和来源（金额） 具体职位
2016.01~2018.12 国家自然科学基金青年项目（21万） 项目负责人
2013.01~2014.12 博士后基金面上项目（5万） 项目负责人
2012.01~2015.12 国家自然科学基金面上项目（55万） 核心参与者
2016.01~2019.12 国家自然科学基金面上项目（65万） 核心参与者
学术及科研成果、专利、论文
代表性论文：
[1] Y. X. Gu, H. Zheng*, X. Zhao*, RemarkableStabilitiesofTrimetallicNitrideClusterfullerenesMSc₂N@C₇₀(M= Sc,Y,Dy)withThreePentagonAdjacencies:ATheoreticalSurvey, Journal of Physical Chemistry C, 2019, DOI: 10.1021/acs.jpcc.9b09474.
[2] H. Zheng, K. Semba, Y. Nakao, S. Sakaki*, “How to Control Inversion vs. Retention Transmetallation between Pd^II-Phenyl and CuI-Alkyl Complexes: Theoretical Insight”, Journal of American Chemical Society, 2017, 139, 14065-14076.
[3] H. Zheng, X. Zhao*, S. Sakaki*, “[2 + 2]-type Reaction of Metal?Metal σ?Bond with Fullerene Forming an η¹?C₆₀ Metal Complex: Mechanistic Details of Formation Reaction and Prediction of a New η¹?C₆₀ Metal Complex”, Inorganic Chemistry, 2017, 56, 6746?6754.
[4] H. Zheng, L. He, X. Zhao*, W. W. Wang, S. Nagase, “Quantum Chemical Determination of Novel C₈₂ Monometallofullerenes Involving a Heterogeneous Group”, Inorganic Chemistry, 2014, 53, 12911?12917.
[5] H. Zheng, J. Zheng, L. He, X. Zhao*, “Unique Configuration of A Nitrogen-doped Graphene Nanoribbon: Potential Applications to Semiconductor and Hydrogen Fuel Cell”, Journal of Physical Chemistry C, 2014, 118, 24723?24729.
[6] H. Zheng, X. Zhao*, W. W. Wang, J. S. Dang, S. Nagase, “Quantum Chemical Insight into Metallofullerenes M₂C₉₈: M₂C₂@C₉₆ or M₂@C₉₈, Which Will Survive?” Journal of Physical Chemistry C, 2013, 117, 25195-25204.
[7] H. Zheng, J. Li, X. Zhao*, “Regioselective Chlorine-Addition Reaction toward C₅₄Cl₈ and Role of Chlorine Atoms in Stone-Wales Rearrangement”, Dalton Transactions, 2012, 41, 14281-14287.
[8] H. Zheng, X. Zhao*, W. W. Wang, T. Yang, S. Nagase, “Sc₂@C₇₀ rather than Sc₂C₂@C₆₈: Density functional theory characterization of metallofullerene Sc₂C₇₀”, Journal of Chemical Physics, 2012, 137, 014308.
[9] H. Zheng, X. Zhao*, T. Ren, W. W. Wang, “C₇₄ Endohedral metallofullerenes violating the isolated pentagon rule: A density functional theory study”, Nanoscale, 2012, 4, 4530-4536.
[10] T. Saito, N. Hara, N. Kuriakose, H. Zheng, S. Sakaki*, Y. Nakao*, “Rhodium Complexes Bearing PAlP Pincer Ligands”, Journal of American Chemical Society, 2018, 140, 23, 7070-7073.
[11] K. Yuan, R.-S. Zhao, J.-J. Zheng, H. Zheng, S. Nagase, S.-D. Zhao, Y.-Z. Liu, X. Zhao*, “Van Der Waals Heterogeneous Layer-Layer Carbon Nanostructures Involving p…H-C-C-H…p…H-C-C-H Stacking Based on Graphene and Graphane Sheets”, Journal of Computational Chemistry, 2017, 38, 730-739.
[12] K. Semba, K. Ariyama, H. Zheng, R. Kameyama, S. Sakaki*, Y. Nakao*, “Reductive Cross-Coupling of Conjugated Arylalkenes and Aryl Bromides with Hydrosilanes by Cooperative Palladium/Copper Catalysis”, Angewandte Chemie International Edition, 2016, 55, 6275 –6279.
[13] Y. -J. Guo, H. Zheng, T. Yang, S. Nagase, X. Zhao*, “T. Yang, X. Zhao, Q. Xu, H. Zheng, W. W. Wang, S. T. Li, “Probing the role of encapsulated alkaline earth metal atoms in endohedral metallofullerenes M@C₇₆ (M=Ca, Sr, and Ba) by first-principles calculations”, Inorganic Chemistry, 2015, 54, 8066?8076.
[14] T. Yang, X. Zhao*, Q. Xu, H. Zheng, W. W. Wang, S. T. Li, “Probing the role of encapsulated alkaline earth metal atoms in endohedral metallofullerenes M@C₇₆ (M=Ca, Sr, and Ba) by first-principles calculations”, Dalton Transactions, 2012, 41, 5294-5300.
人才称号：入选西安交通大学“青年拔尖人才支持计划（B类）”。
联系方式
电子邮箱：zhenghong666@xjtu.edu.cn

联系电话：**
个人主页：
联系地址：西安交通大学北四楼508室（兴庆南路交大旭邦科技大厦）

更新日期：2019-12-31