个人信息

姓名：贯佳   

邮箱：guanjia19830504@gmail.com; guanjia@wzu.edu.cn

教育经历

2007年9月–2013年12月：理学博士，专业：物理化学，吉林大学理论化学研究所，理论化学计算国家重点实验室

2003年9月–2007年7月：工学学士，专业：高分子材料与工程，大连理工大学化工学院

工作经历

2014年9月至2021年3月：博士后，Texas A&M University

合作导师：Michael B. Hall 教授

2021年4月至今：副教授，BAT365唯一官网

研究背景

基于石墨烯和其他无机纳米结构，设计简单有效的功能化低维纳米材料的途径，并通过高精度计算描述纳米结构的几何结构、热动力学稳定性及其电磁学性质 过渡金属催化烷烃 C−H 键活化和 C−C 键生成反应以及各种金属有机和无机反应的机理研究

发表文章 (*通信联系人, † 共同第一作者)

1. Daniel J. Harrison,† Alex L. Daniels,† Jia Guan, † Bulat M.Gabidullin, Michael B. Hall,* R. Tom Baker.* Nickel Fluorocarbene Metathesis with Fluoroalkenes. Angew. Chem. Int. Ed., 2018, 57,

5772–5776. DOI: 10.1002/anie.201802090. IF: 12.257.

2. Jia Guan, Alisdair Wriglesworth, Xue Zhong Sun, Edward N.Brothers, Snežana D. Zarić, Meagan E. Evans, William D. Jones, Michael B. Hall,* and Michael W. George.* Probing the Carbon-Hydrogen Activation of Alkanes Following Photolysis of Tp’Rh(CNR)(carbodiimide): A Computational and Time-Resolved Infrared Spectroscopic Study. J. Am. Chem. Soc., 2018, 140, 1842–1854. DOI: 10.1021/jacs.7b12152. IF: 14.695.

3. Jia Guan,* Snežana D. Zarić, Edward N. Brothers, and Michael B. Hall. Recent Computational Studies on Transition-Metal Carbon-Hydrogen Bond Activation of Alkanes. Int. J. Quantum Chem., 2018. DOI: 10.1002/qua.25605. IF: 2.263.

4. Jia Guan, Wei Chen, Yafei Li, Guangtao Yu,* Zhiming Shi, Xuri Huang,* Chiachung Sun, Zhongfang Chen.* An Effective Approach to Achieve a Spin Gapless Semiconductor–Half Metal–Metal Transition in Zigzag Graphene Nanoribbons: Attaching A Floating Induced Dipole

Field via π–π Interactions. Adv. Funct. Mater., 2013, 23, 1507–1518.

DOI: 10.1002/adfm.201201677. Selected as the Front Inside Cover. IF: 15.621.

5. Jia Guan, Guangtao Yu,* Xiuling Ding, Wei Chen,* Zhiming Shi, Xuri Huang,* Chiachung Sun. The Effects of the Formation of Stone–Wales Defects on the Electronic and Magnetic Properties

of Silicon Carbide Nanoribbons: A First-Principles Investigation. ChemPhysChem, 2013, 14, 2841–2852. DOI: 10.1002/cphc.201300097. IF: 3.077.

6. Jia Guan, Wei Chen,* Xiaojie Zhao, Guangtao Yu,* Xuri Huang,* Chiachung Sun. Successive hydrogenation starting from the edge(s): an effective approach to fine-tune the electronic and magnetic behaviors of SiC nanoribbons. J. Mater. Chem., 2012, 22, 24166–24172. DOI: 10.1039/C2JM34802K. IF: 6.626.

7. Wei Chen, Yuanhui Sun, Jia Guan, Qiang Wang, Xuri Huang, Guangtao Yu.* Molecular charge transfer via π–π interaction: an effective approach to realize the half-metallicity and spin-gapless semiconductor in zigzag graphene nanoribbon. RSC Adv., 2015, 5, 53003–53011. DOI:

10.1039/c5ra06665d. IF: 3.049.

8. Hui Zhang, Guangtao Yu, Wei Chen,* Jia Guan, Xuri Huang. A first-principles investigation on the effect of the divacancy defect on the band structures of boron nitride (BN) nanoribbons. Physica E, 2015, 69, 65–74. DOI: 10.1016/j.physe.2015.01.024. IF: 3.176.

9. Dan Liu, Guangtao Yu,* Yuanhui Sun, Xuri Huang, Jia Guan, Hui Zhang, Hui Li, Wei Chen.*

Molecular charge transfer by adsorbing TCNQ/TTF molecules via π–π interaction: a simple and effective strategy to modulate the electronic and magnetic behaviors of zigzag SiC nanoribbons. Phys. Chem. Chem. Phys., 2015, 17, 941–950. DOI: 10.1039/C4CP03690E. IF: 3.567.

10. Hao Tang, Jia Guan, Michael B. Hall.* Understanding the Radical Nature of an Oxidized Ruthenium Tris(thiolate) Complex and Its Role in the Chemistry. J. Am. Chem. Soc., 2015, 137, 15616–15619. DOI: 10.1021/jacs.5b09309. IF: 14.695.

11. Hao Tang, Jia Guan, Huiling Liu,* Xuri Huang.* Analysis of an alternative to the H-atom abstraction mechanism in methane C–H bond activation by nonheme iron(IV)-oxo oxidants. Dalton Trans., 2013, 42, 10260–10270. DOI: 10.1039/c3dt50866h. IF: 4.052.

12. Hao Tang, Jia Guan, Huiling Liu,* Xuri Huang.* Comparative Insight into Electronic Properties and Reactivities toward C–H Bond Activation by Iron(IV)–Nitrido, Iron(IV)–Oxo, and Iron(IV)–

Sulfido Complexes: A Theoretical Investigation. Inorg. Chem., 2013, 52, 2684–2696. DOI: 10.1021/ic302766f. IF: 4.85.

13. Hao Tang, Jia Guan, Lili Zhang, Huiling Liu,* Xuri Huang.* The effect of the axial ligand on distinct reaction tunneling for methane hydroxylation by nonheme iron(IV)–oxo complexes. Phys. Chem. Chem. Phys., 2012, 14, 12863–12874. DOI: 10.1039/c2cp42423a. IF: 3.567.

参与科研项目

The NSFC Project No. 21103065 as the First Participant

The National Science Foundation Grant No. CHE-1300787

The Qatar National Research Fund NPRP Grant No. 7-297-1-051

The Welch Foundation Grant No. A-0648