姓名：李国良
职称：教授

联系方式

邮箱：glli77@aliyun.com

通讯地址：广州大学城华南师范大学化学与环境学院，510006

教育经历

1997年9月至2000年7月  博士，应用化学，北京理工大学化工与材料学院

1994年9月至1997年7月  硕士，物理化学，云南大学化学系

1990年9月至1994年7月  学士，化学，河南师范大学化学系

工作经历

2014年12月至2015年12月  美国Georgia大学计算量子化学研究中心（访问学者）

2006年02月至今            华南师范大学化学与环境学院（讲师、副教授、教授）

2002年11月至2005年01月  德国Stuttgart大学理论化学研究所（客座研究人员）

2000年09月至2002年10月  中国科学院化学研究所（博士后）

研究领域

Ø  小分子反应精确势能面的理论计算；

Ø  含杂配体的过渡金属配合物的结构的理论预测；

Ø  掺杂的IVA族元素原子簇的结构及稳定性的理论研究；

Ø  电催化反应催化剂的理论设计

科研项目

Ø  广东省自然科学基金面上项目，一些小自由基与水分子簇反应的理论研究，2021/01-2023/12，主持。

Ø  广东省自然科学基金自由申请项目，掺杂硅原子簇的结构和性质的理论研究，2010/10-2012/10，主持。

Ø  “973计划”前期研究专项课题，从工业硅(2N)纯化至太阳能级多晶硅(6N)的基础研究，2009/04-2011/08，参与（理论研究部分负责人）。

Ø  爆炸科学与技术国家重点实验室开放基金，小硼原子簇的结构及其异构化和分解反应动力学过程，2009/01-2010/12，主持。

Ø  教育部留学回国人员科研启动基金项目，掺杂的小碳原子簇的结构电子态稳定性及热化学性质，2007/10起，主持。

部分获奖与荣誉

北京理工大学优秀博士学位论文，2001。

招生/招聘信息
物理化学专业研究生

代表性论文

1. Transition metals embedded two-dimensional square tetrafluorotetracyanoquinodimethane monolayers as a class of novel electrocatalysts for nitrogen reduction reaction

Sheng-Yao Lv, Guoliang Li*, Li-Ming Yang*

ACS Appl. Mater. Interfaces, 2022, 14(22), 25317-25325

2. Prognostication of two-dimensional transition-metal atoms embedded rectangular tetrafluorotetracyanoquinodimethane single-atom catalysts for high-efficiency electrochemical nitrogen reduction

Sheng-Yao Lv, Guoliang Li*, Li-Ming Yang*

J. Colloid Interface Sci., 2022, 621, 24-32

3. Single-atom catalysts based on two-dimensional metalloporphyrin monolayers for ammonia synthesis under ambient conditions

Chun-Xiang Huang, Sheng-Yao Lv, Cong Li, Bin Peng, Guoliang Li*, Li-Ming Yang*

Nano Res., 2022, 15(5), 4039-4047

4. Unveiling the underlying mechanism of transition metal atoms anchored square tetracyanoquinodimethane monolayers as electrocatalysts for N2 fixation

Sheng-Yao Lv, Chun-Xiang Huang, Guoliang Li*, Li-Ming Yang*

Energy Environ. Mater., 2022, 5(2), 533-542

5. Electrocatalytic mechanism of N2 reduction reaction by single-atom catalyst rectangular TM-TCNQ monolayers

Sheng-Yao Lv, Chun-Xiang Huang, Guoliang Li*, Li-Ming Yang*

ACS Appl. Mater. Interfaces, 2021, 13(25), 29641-29653

6. Ammonia synthesis using single-atom catalysts based on two-dimensional organometallic metal phthalocyanine monolayers under ambient conditions

Chun-Xiang Huang, Guoliang Li*, Li-Ming Yang*, Eric Ganz

ACS Appl. Mater. Interfaces, 2021, 13(1), 608-621

7. Probing the potential energy profile of the I + (H2O)3 → HI + (H2O)2OH forward and reverse reactions: high level CCSD(T) studies with spin-orbit coupling included

Xinyuan Zhang, Xiaoting Chen, Yan Lin, Yan Meng, Guoliang Li*, Yaoming Xie, Henry F. Schaefer III*

Molecules, 2023, 28(2), 904-1-8

8. The reaction between the bromine atom and the water trimer: high level theoretical studies

Guoliang Li*, Ying Yao, Yan Lin, Yan Meng, Yaoming Xie, Gary E. Douberly, Henry F. Schaefer III*

Phys. Chem. Chem. Phys., 2022, 24(42), 26164-26169

9. Potential energy profile for the Cl + (H2O)3 ® HCl + (H2O)2OH reaction. A CCSD(T) study

Guoliang Li*, Ying Yao, Shengyao Lü, Yaoming Xie, Gary E. Douberly, Henry F. Schaefer III*

Phys. Chem. Chem. Phys., 2021, 23(47), 26837-26842

10. Fluorine migration from carbon to iron and fluorine-Iron dative bonds in octafluorocyclohexadiene iron carbonyl chemistry

Chunxiang Huang, Liping Huang, Guoliang Li*, Yaoming Xie, R. Bruce King*, Henry F. Schaefer III

Organometallics, 2021, 40(3), 397-407

11. Unusual structures of the parent molecules diarsene, distibene, and dibismuthene. Toward their observation

Guoliang Li*, Chunxiang Huang, Yaoming Xie, Gregory H. Robinson, Henry F. Schaefer III*

Chem. Eur. J., 2020, 26 (62), 14159-14166

12. Perfluoroolefin complexes versus perfluorometallacycles and perfluorocarbene complexes in cyclopentadienylcobalt chemistry

Limei Wen, Guoliang Li*, Yaoming Xie, R. Bruce King*, Henry F. Schaefer III

Phys. Chem. Chem. Phys., 2020, 22(14), 7616-7624

13. Alternative modes of bonding of C4F8 units in mononuclear and binuclear iron carbonyl complexes

Liping Huang, Jing Li, Guoliang Li*, Yaoming Xie, R. Bruce King*, Henry F. Schaefer III

New J. Chem., 2019, 43(18), 6932-6942

14. Noncovalent interactions between molecular hydrogen and the alkali fluorides: H-H×××F-M (M = Li, Na, K, Rb, Cs). High level theoretical predictions and SAPT analysis.

Dan Zhou, Guoliang Li*, Kevin B. Moore III, Yaoming Xie, Kirk A. Peterson, Henry F. Schaefer III*

J. Chem. Theory Comput., 2018, 14(10), 5118-5127

15. From gas phase to liquid water chemical reactions: F + (H2O)n, n=1-4 systems

Guoliang Li*, Yaoming Xie, Henry F. Schaefer*

Chem. Phys. Lett., 2016, 648, 1-7

16. I + (H2O)2 → HI + (H2O)OH forward and reverse reactions. CCSD(T) studies including spin-orbit coupling

Hui Wang, Guoliang Li*, Qian-Shu Li, Yaoming Xie, Henry F. Schaefer*

J. Phys. Chem. B, 2016, 120(8), 1743-1748

17. The reaction between bromine and the water dimer and the highly exothermic reverse reaction

Guoliang Li*, Hui Wang, Qian-Shu Li*, Yaoming Xie, Henry F. Schaefer*

J. Comput. Chem., 2016, 37(2), 177-182

18. From gas phase to liquid water chemical reactions: the fluorine atom plus water trimer system

Guoliang Li*, Qian-Shu Li, Yaoming Xie, Henry F. Schaefer*

Angew. Chem. Int. Ed. 2015, 54(38), 11223-11226

19. The exothermic HCl + OH·(H2O) reaction: Removal of the HCl + OH barrier by a single water molecule

Guoliang Li, Hui Wang, Qian-Shu Li*, Yaoming Xie, Henry F. Schaefer III*

J. Chem. Phys., 2014, 140(12), 124316-1-5

20. The F + (H2O)2 reaction: the second water removes the barrier

Guoliang Li, Qian-Shu Li*, Yaoming Xie, Henry F. Schaefer III*

J. Phys. chem. A, 2013, 117(46), 11979-11982

21. The entrance complex, transition state, and exit complex for the F + H2O - HF + OH reaction. Definitive predictions. Comparison with popular density functional methods

Guoliang Li, Liqing Zhou, Qian-Shu Li*, Yaoming Xie and Henry F. Schaefer III*

Phys. Chem. Chem. Phys., 2012, 14(31), 10891-10895

22. New ab initio potential energy surfaces for the F+H2 reaction

Guoliang Li, Hans-Joachim Werner*, François Lique, Millard H. Alexander*

J. Chem. Phys., 2007, 127(17), 174302-1-12

23. Breakdown of the Born-Oppenheimer approximation in the F + o-D2 → DF + D reaction

Li Che+, Zefeng Ren+, Xingan Wang, Wenrui Dong, Dongxu Dai, Xiuyan Wang, Dong H. Zhang, Xueming Yang*, Liusi Sheng, Guoliang Li, Hans-Joachim Werner*, François Lique, Millard H. Alexander*

Science, 2007, 317(5841), 1061-1064

24. Parity alternation effects in the stabilities of the second-row-atom-doped linear carbon

clusters CnX/CnX+/CnX-(n=1-10; X=Na, Mg, Al, Si, P, S or Cl).  A comparative study

Guoliang Li, Zichao Tang*

J. Phys. Chem. A, 2003, 107(27), 5317-5326