LI Yuan


Postgraduate (Doctoral)

Shandong University

Personal Information:

Date of Employment:2017-12-26



        LI Yuan, PhD, Associate Professor. Dr. LI obtained his BS in Physics and PhD in Condensed-Matter Physics from Shandong University in 2004 and 2009, respectively. He was a Postdoctoral Fellow at Georgia Institute of Technology in US (with Prof. Jean-Luc Bredas) from 2010 to 2014, and then he moved with the same research group to KAUST (King Abdullah University of Science and Technology) in Saudi Arabia, working as a Research Scientist from 2014 to 2016. He joined the faculty of Shandong University in 2017, working as an Associate Professor at the School of Information Science and Engineering. His research is mainly focused on the computational design of advanced materials and devices for application in the post-Moore's Law era and the development of relevant simulation tools. He has coauthored more than 80 research papers published in peer-reviewed Journals and Conferences. He works as the PI of 3 research grants funded by the National Natural Science Foundation of China (NSFC). He also works as an independent Reviewer for NSFC and more than 10 peer-reviewed Journals, including Science Advances, Physical Review Letters, Physical Review B, Applied Physics Letters, Chemistry of Materials.

Research Field

Computational Design of Information-Functional Materials&Devices 

and Development of Simulation Tools 


Research Highlights

1. Semiconducting Silicene: A Two-Dimensional Silicon Allotrope with Hybrid Honeycomb-Kagome Lattice.


Paper URL:     


Selected Papers(with * the corresponding authors

[16] X. X. Gong, L. J. Xu, P. P. Sang, Y. Li*, and J. Z. Chen, Organic Steep-Slope Nano-FETs: A Rational Design Based on Two-Dimensional Covalent-Organic FrameworksOrg. Electron. 100, 106379 (2022).

[15] P. P. Sang, Q. W. Wang, W. Wei, Y. Li*, and J. Z. Chen*, Hydrogenated Borophene as a Promising Two-Dimensional Semiconductor for Nanoscale Field-Effect Transistors: A Computational StudyACS Appl. Nano Mater. 4, 11931 (2021).


[14] P. P. Sang, Q. W. Wang, W. Wei, F. Wang, Y. Li*, and J. Z. Chen*, Semiconducting Silicene: A Two-Dimensional Silicon Allotrope with Hybrid Honeycomb-Kagome Lattice. ACS Materials Lett. 3, 1181 (2021).(封底文章)

[13] F. Wang, Y. Li*, X. L. Ma, and J. Z. Chen*, Charge Loss Induced by Defects of Transition Layer in Charge-Trap 3D NAND Flash Memory. IEEE Access 9, 47391 (2021).

[12] P. P. Sang, X. L. Ma, Q. W. Wang, W. Wei, F. Wang, J. X. Wu, X. P. Zhan, Y. Li*, and J. Z. Chen*, Toward High-Performance Monolayer Graphdiyne Transistor: Strain Engineering Matters. Appl. Surf. Sci. 536, 147836 (2021).

[11] F. Lu, Q. Qin, Y. Li*, and J. Z. Chen*, Computational Design of Molecular Transistor with Van der Waals GatingAppl. Phys. Express 13, 085002 (2020).

[10] Y. Li*, Y. P. Yi, B. Cui, and J. Z. Chen*, Two-Dimensional Electronic and Charge-Transport Properties of a Monolayer Organic Crystal: Impact of the Collinear Transfer-Integral Correlations. Org. Electron. 78, 105609 (2020).

[9] Y. Li, H. Y. Li, C. Zhong, G. Sini, and J. L. Brédas*, Characterization of Intrinsic Hole Transport in Single-Crystal Spiro-OMeTAD. npj Flex. Electron. 1, 2 (2017).

[8] Y. Li, V. Coropceanu, and J. L. Brédas, Chapter 7: Charge Transport in Crystalline Organic Semiconductors. in Organic Semiconductors: Basic Concepts. ISBN13:9789814699228, World Scientific, Singapore (2016).(专著章节)

[7] Y. Li, Y. P. Yi, V. Coropceanu*, and J. L. Brédas*, Optical Conductivity and Optical Effective Mass in a High-Mobility Organic Semiconductor: Implications for the Nature of Charge Transport. Phys. Rev. B 90, 245112 (2014).

[6] V. Coropceanu*, Y. Li, Y. P. Yi, L. Y. Zhu, and J. L. Brédas, Intrinsic Charge Transport in Single Crystals of Organic Molecular Semiconductors: A Theoretical Perspective. MRS Bull. 38, 57 (2013).(特邀综述)

[5] Y. Li, V. Coropceanu*, and J. L. Brédas*, Nonlocal Electron-Phonon Coupling in Organic Semiconductor Crystals: The Role of Acoustic Lattice Vibrations. J. Chem. Phys. 138, 204713 (2013).

[4] Y. Li, V. Coropceanu*, and J. L. Brédas*, Thermal Narrowing of the Electronic Bandwidths in Organic Molecular Semiconductors: Impact of the Crystal Thermal Expansion. J. Phys. Chem. Lett. 3, 3325 (2012).

[3] Y. Li, Y. P. Yi, V. Coropceanu*, and J. L. Brédas*, Symmetry Effects on Nonlocal Electron-Phonon Coupling in Organic Semiconductors. Phys. Rev. B 85, 245201 (2012).

[2] Y. Li, K. Gao, Z. Sun, S. Yin, D. S. Liu*, and S. J. Xie, Intrachain Polaron Motion and Geminate Combination in Donor-Acceptor Copolymers: Effects of Level Offset and Interfacial Coupling. Phys. Rev. B 78, 014304 (2008)

[1] Y. Li, X. J. Liu, J. Y. Fu, D. S. Liu*, S. J. Xie, and L. M. Mei, Bloch Oscillations in a One-Dimensional Organic Lattice. Phys. Rev. B 74, 184303 (2006).

2000.9  to  2004.6
山东大学 | 物理学 | Bachelor's Degree in Science
2004.9  to  2009.6
山东大学 | 凝聚态物理 | Doctoral Degree in Science

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