1. Molecular dynamics simulations on carbon nanotube based artificial water channel
2. Study on the electron transfer reaction between protein and nanomaterials
3. Computer simulations on absorption of COF
4. Molecular dynamics simulations on gas seperation by nanomaterials
5. Computer simulations on interactions between carbon nanotube and protein

2016.12-Present: Professor in College of Materials Sciences and Opto-electronic Technology, College of Chemistry and Chemical Engineering, Guaduate University of Chinese Academy of Sciences

2005.5-2016.12: Associate Professor in College of Materials Sciences and Opto-electronic Technology, College of Chemistry and Chemical Engineering, Guaduate University of Chinese Academy of Sciences

2003.5-2005.5: Postdoc in Department of Cell & Molecular Biology, Uppsala University

2000-2003: Postdoc in Institute of Chemistry, Chinese Academy of Sciences

1997-2000: Ph. D Candidate in Sichuan University 
1994-1997: Master Candidate in Sichuan University
1990-1994: Bachelor Candidate in Sichuan University 

Selected Publications:

Boxin Jiao, Zhigang che, Ziwei Quan, Wenze Wu, Kun Hu, Xiaoyi Li, Fengzhen Liu, Highly efficient and stable perovskite solar cells: Competitive crystallization strategy and synergistic passivation, Small, 2302630,2023.

 Zichen Wang, Xiaoyi Li, Fenglei Sun, Wenze Wu, Rui Huang, Making the second generation of molecular motors operate unidirectionally in response to electricity, Materials Today Chemistry, 26, 101111, 2022.    

 Zichen Wang, Xiaoyi Li, Wenze Wu, Tao Wang, Manipulating the rotation modes by electricity and light based on the second generation molecular motor, Applied Physics A, 128, 734, 2022.      

Zhang C., Li X. Y.*, Wang Z. C., Huang X. Q., Ge Z. P., and Hu B. F., Influence of structured water layers on protein adsorption process: A case study of cytochrome c and carbon nanotube interactions and its implications., J. Phys. Chem. B, 124(4), 684-694, 2020.

Li X. Y., Shi Y. C., Yang Y. L., Du H. L., Zhou R. H., Zhao Y. L., How does water-nanotube interaction influence water flow through the nanochannel, J. Chem. Phys., 136, 175101, 2012.

Li X. Y.*, Shi Y. C., Miao B., Zhao Y. L., Effects of embedded carbon nanotube on properties of biomembrane, J. Phys. Chem. B., 116, 5391-5397, 2012.
Du H. L., Li J. Y., Zhang J., Su G., Li X. Y.*, Zhao Y. L., Separation of hydrogen and nitrogen gases with porous graphene membrane, J. Phys. Chem. C, 115(47), 23261-23266, 2011.
Yang Y. L., Li X. Y*., Jiang J. L., Du H. L., Zhao L. N., Zhao Y. L. Control Performance and Biomembrane Disturbance of Carbon Nanotube Artificial Water Channels by Nitrogen-Doping, ACS Nano, 4 (10), 5755-5762 (2010). 
Liu B., Li X. Y*., Li B. L., Xu B. Q. and Zhao Y. L., Carbon nanotube based artificial water channel protein: Membrane perturbation and water transportation. Nano Lett., 9(4), 1386-1394 (2009) 
highlighted: Nature China (25 March, 2009) 
Li X. Y. and L. A. Eriksson, Photoreaction of skin-sensitizing trimethyl psoralens with lipid membrane model, Photochem. Photobiol. 81, 1153-1160 (2005). 
Li X. Y. and L. A. Eriksson, Influence of C5-Methylation of Cytosine on the Formation of Cyclobutane Pyrimidine Dimers, Chem. Phys. Lett. 401, 99-103 (2005). 
Li X. Y. and L. A. Eriksson, Molecular Dynamics Study of Lignin Constituents in Water, Holzforschung, 59, 253-262 (2005). 
Li X. Y. and Zhao D. L., Statistical Thermodynamics of Polymer solutions, J. Chem. Phys. 119, 3996-4004 (2003) 
Li X. Y. and Zhao D. L., Statistical Thermodynamics of Lattice Polymer Fluid, J. Chem. Phys. 117, 6803-6809 (2002) 
Fan K., Li X. Y. and Wu D. C., Self-avoiding walk on a three-dimensional Manhattan lattice. J. Phys. A: Math. Gen., 133, 3971-3975 (2000) 

R. C. Guedes, X. Y. Li, D. dos Santos and L. A. Eriksson, “Theoretical studies of photodynamic drugs and phototoxic reactions”in Modelling Structure and Reactivity in Biological Systems; K. J. Naidoo, (Eds.) Royal Society of Chemistry, 2006, 304, 119-131.

已指导学生

刘博  硕士研究生  070304-物理化学(含∶化学物理)  

杨玉玲  硕士研究生  080502-材料学  

杜怀亮  硕士研究生  070305-高分子化学与物理  

石彦超  硕士研究生  070322-生物无机化学  

葛振朋  硕士研究生  070304-物理化学  

胡本锋  硕士研究生  085204-材料工程  

张驰  硕士研究生  085204-材料工程  

张冬冬  硕士研究生  070304-物理化学  

黄须啟  硕士研究生  085204-材料工程  

张玉杰  硕士研究生  085204-材料工程  

张程澄  硕士研究生  085204-材料工程  

吴汶泽  硕士研究生  085204-材料工程  

孙丰垒  硕士研究生  070304-物理化学  

王梓臣  博士研究生  080502-材料学  

王涛  硕士研究生  080502-材料学  

胡堃  硕士研究生  085600-材料与化工  

现指导学生

吴汶泽  博士研究生  080502-材料学  

焦博新  硕士研究生  085600-材料与化工  

张盟  硕士研究生  080502-材料学  

狄雨千  博士研究生  080502-材料学  

刘璐  硕士研究生  085600-材料与化工