1. Revolutionizing Materials Science: The Groundbreaking Application of Machine Learning in Material Discovery and Design
   In this data-driven era, we harness advanced machine learning algorithms to accelerate the discovery and optimization of novel materials, unlocking unprecedented material properties that will revolutionize fields such as clean energy and information technology.

2. A New Chapter in Green Energy: Pushing the Efficiency Limits of Perovskite Solar Cells
   Dedicated to enhancing the photoelectric conversion efficiency and stability of perovskite solar cells, we strive to propel renewable energy technologies forward, contributing to the global effort towards carbon neutrality.

3. The Microscopic Engines of Life Science: Unraveling the Mysteries and Biomimetic Applications of Molecular Motors
   By delving into the working principles of molecular motors in nature, we aim to inspire the development of novel biosensors, drug delivery systems, and advance biomedical engineering.

4. Nanoscale Water Management: Innovative Research on Carbon Nanotube Water Channels
   Leveraging the unique structural properties of carbon nanotubes, we design efficient water filtration and transport systems to address water scarcity and pollution challenges.

5. The Symphony of Nano and Life: Exploring the Electronic Dialogue Between Nanomaterials and Biomolecules
   We investigate the electron transfer mechanisms between nanomaterials and biomolecules, revealing novel modes of interaction within biological systems and paving the way for nanomedicine and biosensing.

6. Guardians of Nanosafety: Research on the Cellular Toxicity Mechanisms of Carbon Nanomaterials
   By delving into the molecular mechanisms of carbon nanomaterial-biological interactions, we aim to assess their safety, fostering the development of safe and effective nanotherapies.

7. The Art of Adsorption Science: Precise Design and Applications of Covalent Organic Frameworks (COFs)
   Harnessing the tunable structure of COFs, we design high-performance adsorption materials for applications in gas separation, catalysis, energy storage, and beyond, pushing the boundaries of materials science.

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, Yiran Ye, Liguo Tan, Yue liu, Ningyu Ren, Minghao Li, Junjie Zhou, Hang Li,Yu Chen,* Xiaoyi Li,* and Chenyi Yi*, Realizing Stable Perovskite Solar Cells with EfficiencyExceeding 25.6% Through Crystallization Kinetics and Spatial Orientation Regulation, Advanced Materials, 2313673, 2024.

Zhenfeng Li, Meng Zhang, Yu Liu, Yong Cao, Qinghui Zeng, Qianjiang Mao, Zhihua Lu, Yuchen Jiang, Anqi Chen, Jiazhu Guan, Honghao Wang, Lin Chen, Rongzheng Li, Yajuan Zhou, Jiancheng Wang,* Xiangfeng Liu,* Xiaoyi Li,* and Liaoyun Zhang*, Synergism of Covalent Linkage and Bimetallic Atom Catalysis Enables High-Performance Cathodes for Li–S Batteries Under High Sulfur Loading and Low-Temperature Conditions. Advanced Functional Materials, 2412579, 2024.

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.   

Wenze Wu, Zichen Wang , Dongdong Zhang, Chengcheng Zhang, Yujie Zhang, Benfeng Hu, Zhenpeng Ge, Chi Zhang, Bing Miao, Xiaoyi Li. The study on the electron transfer between cytochrome c and single-walled carbon nanotube – The calculations of the reorganization free energy, the coupling matrix element and the rate constant. Computational and Theoretical Chemistry, 1238, 114675, 2024.

 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. 

Wenze Wu, Zichen Wang, Boxin Jiao, Chengcheng Zhang, Yujie Zhang, Xuqi Huang, Chi Zhang, Xiaoyi Li, The potential impact of the graphene oxide on the cytochrome c − from the insight of electron transfer theory, Chemical Physics, 586, 112395, 2024.     

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.

Shi Y. C., Li X. Y.*, Biomedical Applications and Adverse Health Effects of Nanomaterials, J. Nanosci. Nanotech., 12 (11), 8231-8240, 2012.
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.
10. 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)
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 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)
论著：
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.

软物质科学精要，钱志勇，郑静，李晓毅，严玉蓉等译，吴大诚，李瑞霞较，化学工业出版社，ISBN 978-7-122-44688-6

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