华中科技大学化学与化工学院 华中科技大学化学与化工学院

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姓 名: 廖荣臻   liaorongzhen
出生年月:1983-10
学历: 博士
职称: 教授
专业方向:理论与计算化学
电 话:15071100657
Email:rongzhen@hust.edu.cn
个人主页:

教育与研究经历

教育

2001.9-2005.6                 学士学位,北京师范大学化学系

2005.9-2011.1                 博士学位,北京师范大学化学学院(导师:刘若庄院士)

2007.1-2009.4                 副博士学位,瑞典皇家工学院理论化学系(导师:Fahmi Himo 教授)

2009.5-2010.10                 博士学位,瑞典斯德哥尔摩大学有机化学系(导师:Fahmi Himo 教授)

 

工作经历

2011.2-2012.12                 德国马普煤炭研究所博士后(导师:Walter Thiel 教授)

2013.1-2014.12                 瑞典斯德哥尔摩大学有机化学系博士后(导师:Per Siegbahn 教授)

2014.12-                     华中科技大学化学化工学院教授

研究领域与兴趣

研究领域:物理化学,催化化学

研究生招生:硕士:物理化学(理学)

博士:物理化学(理学)

研究兴趣:

计算催化方法学研究;酶催化反应机理的理论研究;人工合成光合系统的理论研究

联系方式:韵苑28栋312 (15071100657)

  迄今为止,已在国际核心期刊上发表SCI论文60多篇,其中第一作者或通讯作者30余篇,SCI他引600余次,H-index为19。2014年12月回国独立工作后,以通讯作者(含共同通讯作者)发表和接受论文18篇,其中Angew. Chem. Int. Ed.一篇,Chem. Sci.一篇,ACS Catal.四篇。并荣获华中科技大学2016年度“科技新星”和“学术新人奖”。

  欢迎对理论与计算化学感兴趣的同学加盟!

教学情况

硕士研究生《计算化学》

本科生《结构化学》

本科生《化学信息学》

承担项目与课题

自然科学基金青年项目《基于锰水氧化催化剂催化反应机理的理论研究》,项目批准号:21503083,21.00万元,项目起止年月:2016年01月至 2018年 12月。

代表性成果

28. Heng Song, Ke Ye, Peiyu Geng, Xiao Han, Rong-Zhen Liao*,Chen-Ho Tung, Wenguang Wang*. ACS Catalysis 2017, DOI: 10.1021/acscatal.7b02527. 

27. Rong-Zhen Liao*, Per E. M. Siegbahn* Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis. ChemSusChem. 2017, in press. (邀请综述)

26. Rong-Zhen Liao*, Per E. M. Siegbahn Possible water association and oxidation mechanisms for a recently synthesized Mn4Ca-complex.  J. Catal. 2017, 354, 169-181. 

25. Jian-Tao Ge, Ying-Ying Li, Jun Tian, Rong-Zhen Liao, and Hai Dong* Synthesis of Deoxyglycosides by Desulfurization under UV Light. J. Org. Chem. 2017, 82, 7008-7014. 

24. Wen-Jie Wei, Per E. M. Siegbahn, Rong-Zhen Liao* Theoretical Study of the Mechanism of the Non-heme Iron Enzyme EgtB.  Inorg. Chem. 2017, 56, 3589-3599(第一作者为2015级硕士生魏文杰)

23. Ying-Ying Li, Ke Ye, Per E. M. Siegbahn, Rong-Zhen Liao* Mechanism of Water Oxidation Catalysed by a Mononuclear Manganese Complex [Py2N(tBu)2Mn(H2O)2]2+. ChemSusChem 2017, 10,  903-911(第一作者为2015级硕士生李英英)

22. Ke Ye, Ying-Ying Li, Rong-Zhen Liao*  DFT study of the mechanism of hydrogen evolution catalysed by molecular Ni, Co and Fe catalysts containing a diamine-tripyridine ligand. RSC Adv. 2016, 6, 90035–90045. (第一作者为2013级本科生叶科)

21. Rong-Zhen Liao*, Shi-Lu Chen, Per E. M. SiegbahnUnraveling the Mechanism and Regioselectivity of the B12-dependent Reductive Dehalogenase PceA. Chem. Eur. J. 2016, 22, 12391-12399.

20. Ahmed M Senan, Shuhao Qin, Sicheng Zhang, Chenling Lou, Zhuqi Chen, Rong-Zhen Liao*, and Guochuan Yin*. Non-redox metal ions accelerated olefin isomerization by Palladium(II) catalysts: DFT calculations supporting the experimental data. ACS Catal. 2016, 6, 4144-4148.

19. Sicheng Zhang, Zhuqi Chen, Shuhao Qin, Chenlin Lou, Ahmed M. Senan, Rong-Zhen Liao*, Guochuan Yin*. Non-redox Metal Ions Promoted Oxidative Coupling of Indoles with Olefins by Palladium(II) Acetate Catalyst Through Dioxygen Activation: Experimental Results with DFT Calculations.Org. Biomol. Chem. 2016, 14, 4146-4157.

18. Rong-Zhen Liao*, Markus D. Kärkäs, Tanja M. Laine, Björn Åkermark, Per E. M. Siegbahn*. On the Mechanism of Water Oxidation Catalyzed by a Dinuclear Ruthenium Complex: A Quantum Chemical Study. Catal. Sci. Technol. 2016, 6, 5031–5041.

17. Markus D. Kärkäs*, Rong-Zhen Liao*, Tanja M. Laine, Torbjörn Åkermark, Shams R. Karim, Per E. M. Siegbahn, Björn Åkermark*. Molecular Ruthenium Water Oxidation Catalysts Carrying Non-innocent Ligands: Mechanistic Insightthrough Structure–activity Relationships andQuantum Chemical CalculationsCatal. Sci. Technol. 2016, 6, 1306-1319.

16. Rong-Zhen Liao*, Stefano Santoro*, Martin Gotsev, Tommaso Marcelli, Fahmi Himo*. Originsof Stereoselectivity in Peptide-Catalyzed Kinetic Resolution of Alcohols. ACS Catal. 2016, 6,1165-1171.

15. Rong-Zhen Liao*, Per E. M. Siegbahn. Phosphate Hydrolysis by the Fe2−Ca3-Dependent Alkaline Phosphatase PhoX: Mechanistic Insights from DFT calculations. Inorg. Chem. 2015, 54,11941-11947.

14.  Rong-Zhen Liao*, Shi-Lu Chen, Per E. M. SiegbahnWhich Oxidation State Initiates Dehalogenation in the B12-dependent Enzyme NpRdhA, CoII, CoI, or Co0ACS Catal. 2015, 5, 7350-7358.

13. Rong-Zhen Liao*, Mei Wang, Licheng Sun, Per E. M. Siegbahn*, Mechanism of Hydrogen Evolution in Cu(bztpen)-Catalyzed Water Reduction: A DFT Study. Dalton Trans. 2015, 44, 9736-9739.

12. Tanja M. Laine, Markus D. Kärkäs*, Rong-Zhen Liao*, Per E. M. Siegbahn, Björn Åkermark*, ADinuclear Ruthenium-Based Water Oxidation Catalyst: use of Non-Innocent Ligand frameworks for Promoting Multi-Electron Reactions. Chem. Eur. J. 201521, 10039-10048.

11. Rong-Zhen Liao*, Per E. M. Siegbahn*, Mechanism and Selectivity of the Dinuclear Iron Benzoyl-Coenzyme A Epoxidase BoxB. Chem. Sci. 2015, 6, 2754-2764. 

10. Xiao-Jun Su, Meng, Gao, Lei, Jiao, Rong-Zhen Liao*, Per E. M. Siegbahn, Jin-Pei Cheng, Ming-Tian Zhang*, Electrocatalytic Water Oxidation by a Dinuclear Copper Complex in a Neutral Aqueous Solution. Angew. Chem. Int. Ed. 2015 54, 4909-4914. (Hot paper)

9. Rong-Zhen Liao*, Markus D. Kärkäs, Bao-Lin Lee, Björn Åkermark, Per E. M. Siegbahn*, Photosystem II Like Water Oxidation Mechanism in a Bioinspired Tetranuclear Manganese Complex. Inorg. Chem. 2015, 5, 342-351

8. Tanja M. Laine, Markus D. Kärkäs*, Rong-Zhen Liao*, Torbjörn Åkermark, Bao-Lin Lee, Erik A. Karlsson, Per E. M. Siegbahn, Björn Åkermark*, Water Oxidation Catalysis by a Dinuclear Ruthenium Complex: Use of Non-innocent Ligand Frameworks for Promoting Multi-electron Reactions. Chem. Comm. 2015, 51, 1862-1865.

7. Rong-Zhen Liao*, Per E. M. Siegbahn*, Which oxidation state leads to O-O bond formation in Cp*Ir(bpy)Cl catalyzed water oxidation, Ir(V), Ir(VI), or Ir(VII)? ACS Catal. 2014, 4, 3937-3949.

6. Margareta R. A. Blomberg, Tomasz Borowski, Fahmi Himo, Rong-Zhen Liao, Per E. M. Siegbahn, Quantum Chemical Studies of Mechanisms for Metalloenzymes. Chem. Rev. 2014, 114, 3601-3658.

5. Rong-Zhen Liao, Walter Thiel, Comparison of QM-only and QM/MM Models for the Mechanism of Tungsten-dependent Acetylene Hydratase.J. Chem. Theory Comput. 2012, 8, 3793-3803.

4. Rong-Zhen Liao, Fahmi Himo, Theoretical Study of the Chemoselectivity of Tungsten-Dependent Acetylene Hydratase. ACS Catal. 2011, 1, 937-944.

3. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo, Quantum Chemical Modeling of Enzymatic Reactions: The Case of Decarboxylation.J. Chem. Theory Comput. 2011, 7, 1494-1501. 

2. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo, Mechanism of Tungsten-dependent Acetylene Hydratase from Quantum Chemical Calculations. Proc. Natl. Acda. Sci. U.S.A. 2010, 107, 22523-22527.

1. Rong-Zhen Liao, Jian-Guo Yu, Fahmi Himo, Phosphate Mono- and Diesterase Activities of the Trinuclear Zinc Enzyme Nuclease P1 – Insights from Quantum Chemical Calculations. Inorg. Chem. 2010, 49, 6883-6888.

获奖与荣誉

华中科技大学      “科技新星”      2016

华中科技大学     ‘’学术新人奖‘’   2016

华中科技大学     “华中学者晨星岗” 2016