华南师范大学化学学院/物理化学研究所 2023-10-31 08:52:00 来源:华南师范大学化学学院 点击: 收藏本文
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
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
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