Name：Li Wang

College: College of Chemistry and Chemical Engineering

Professional Title：Professor, Doctoral Supervisor, Distinguished Professor

E-Mail：chemwangl@henu.edu.cn

Curriculum vitae：

Major educational experiences:

2001-2006, Ph. D., Institute of Theoretical Chemistry, Jilin University

1997-2001, Bachelor, Department of Chemistry, Liaoning Normal University

Main work experiences:

2017 to date, Professor, College of Chemistry and Chemical Engineering, Henan University

2009-2017, Associate Professor, College of Chemistry and Chemical Engineering, Henan University

2006-2009, Postdoctor, Department of Chemistry, National University of Singapore

Research interests and teaching courses:

Research interests:

1. The design and synthesis of ionic liquid to catalyze the CO2 fixation reaction

2. Design new dyes applied in DSSCs and investigate their photoelectric properties  

3. Relationship between structure and property for phosphorescent materials

Teaching courses:

《Structural Chemistry》, 《Quantum Chemistry》, 《Group Theory》

Research results:

Represented Publications:

1. Yaping Wen, Wenpeng Wu, Yuanyuan Li, Weiyi Zhang, Zhaoyang Zeng, Li Wang*, Jinglai Zhang* “First principles study of thieno[2,3-b]indole-based organic dyes for dye-sensitized solar cells: Screen novel π-linkers and explore the interface between photosensitizers and TiO2” Journal of Power Sources 2016, 326, 193-202.

2. Xiaolin Wang, Huiqing Yang, Yaping Wen, Li Wang*, Junfeng Li*, Jinglai Zhang* “Comprehension of the effect of a hydroxyl group in ancillary ligand on phosphorescent property for heteroleptic Ir(III) complexes: A computational study using quantitative prediction” Inorganic Chemistry 2017, 56, 8986-8995.

3. Yaping Wen, Huiqing Yang, Danning Zheng, Kenan Sun, Li Wang*, Jinglai Zhang* “First-principles and molecular dynamics on A-D(Π)-A type sensitizers for dye-sensitized solar cells: Effects of various anchoring groups on electronic coupling and dye aggregation” Journal of Physical Chemistry C 2017, 121, 14019-14026.

4. Qing Zhang, Xin Wang, Yue Zhang, Li Wang*, Junfeng Li*, Jinglai Zhang* “Insight into the phosphorescent process of cyclometalated Ir(III) complexes: Combination of the substituents on primary and ancillary ligands controls the emission rule and quantum yield” Journal of Physical Chemistry C 2016, 120, 27523-27532.

5. Jieqiong Li, Li Wang*, Kenan Sun, Jinglai Zhang* “Computational insights into the photophysical and electroluminescence properties of homoleptic fac-Ir(C^N)3 complexes employing different phenyl-derivative-featuring phenylimidazole-based ligands for promising phosphors in OLEDs” Dalton Transactions 2016, 45, 3034-3047.

6. Li Wang, Tengfei Huang, Ci Chen, Jinglai Zhang*, Hongyan He, Suojiang Zhang* “Mechanism of hexaalkylguanidinium salt/zinc bromide binary catalysts for the fixation of CO2 with epoxide: A DFT investigation” Journal of CO2 Utilization 2016, 14, 61-66.

7. Jieqiong Li, Qing Zhang , Hongqing He, Li Wang*, Jinglai Zhang* “Tuning the electronic and phosphorescense properties of blue-emitting iridium(III) complexes through different cyclometalated ligand substituents: A theoretical investigation” Dalton Transactions 2015, 44, 8577-8589.

8. Kenan Sun, Yuan Ma, Weiyi Zhang, Yaping Wen, Li Wang*, Jinglai Zhang* “New carbazole-based dyes with asymmetric butterfly structure for dye-sensitized solar cells: Design and properties studies” Dyes and Pigments 2017, 139, 148-156.

9. Qing Zhang, Li Wang*, Xin Wang, Yonghong Li, Jinglai Zhang* “Tuning the color and phosphorescent properties of iridium(III) complexes with phosphine-silanolate ancillary ligand: A theoretical investigation” Organic Electronics 2016, 28, 100-110.

10. Yaping Wen, Wenpeng Wu, Yuanyuan Li, Tengfei Qin, Yuan Tang, Li Wang*, Jinglai Zhang* “Thieno[2,3-b]indole-based organic dyes for dye-sensitized solar cells: Effect of π-linker on the performance of isolated dye and interface between dyes and TiO2” Organic Electronics 2016, 38, 61-68.

Projects:

1. National Natural Science Foundation of China, “Investigating the mechanism of functionalized ionic Liquids for catalytic CO2 immobilization using QM/MM methods”

2. National Natural Science Foundation of China, "Research on reaction mechanism and kinetics of several air pollutants"

3. International Cooperative Project of the Henan Science and Technology Agency, “Mechanism of functionalized ionic liquid catalytic CO2 fixation”

4. International Cooperation Project of Henan Province Science and Technology Agency "Ligand modification to obtain highly efficient blue OLED material"

5. Natural Science Research Project of Henan Provincial Department of Education, “Research on reaction mechanism and kinetics of several air pollutants”

6. Young College Key Teacher Subsidy Program of Henan Provincial Department of Education, "Reaction mechanism and dynamics of halogen-containing air pollutants"