1. Z. Zhu, X. Yao, S. Zhao, X. Lin, and W. Li*, Giant Modulation of the Electron Mobility in Semiconductor Bi₂O₂Se via Incipient Ferroelectric Phase Transition, Journal of the American Chemical Society, 144, 4541-4549 (2022)

2. S. Zhao, C. Yang, Z. Zhu, X. Yao, and W. Li*, Curvature-Controlled Band Alignment Transition in 1D van der Waals Heterostructures, npj Computational Materials, 9, 92 (2023)

3. X. Yao, Y. Xun, Z. Zhu, S. Zhao, and W. Li*, Origin of the High Electrical Conductivity of the Delafossite Metal PdCoO₂, Physical Review B 109, 075110 (2024)

4. J. Wang^#, Z. Liu^#, S. Zhao^#, Y. Zhang, T. Xu*, S. Z. Li*, and W. Li*, Aggregation Rules of Short Peptides, JACS Au 4, 3567-3580 (2024)

5. J. Wang^#, Z. Liu^#, S. Zhao^#, T. Xu^#, H. Wang*, S. Z. Li*, and W. Li*, Deep Learning Empowers the Discovery of Self-Assembling Peptides with Over 10 Trillion Sequences, Advanced Science, 2301544 (2023)

6. T. Xu^#, J. Wang^#, S. Zhao^#, D. Chen^#, H. Zhang, Y. Fang, N. Kong, Z. Zhou, W. Li*, and H. Wang*, Accelerating the Prediction and Discovery of Peptide Hydrogels with Human-in-the-Loop, Nature Communications, 14, 3880 (2023)

7. Z. Zhu^#, J. Hu^#, Y. Yuan, H. Wang, X. Lin, and W. Li*, Giant Polarizability and Origin of Ferroelectricity in Layered Materials with a Litharge-Type Structural Unit, Nano Letters, doi: 10.1021/acs.nanolett.5c00569 (2025)

8. Z. Lou^#, Y. Zhao^#, Z. Gong^#, Z. Zhu, M. Wu, T. Wang, J. Wang, H. Qi, H. Zuo, Z. Xu, J. Shen, Z.Wang, L. Li, S. Xu, W. Kong, W. Li*, X. Zheng*, H. Wang*, and X. Lin*, Phase Engineering of Giant Second Harmonic Generation in Bi₂O₂Se, Advanced Materials 37, 2409887 (2024)

9. M. Wu^#, Z. Lou^#, C.-M. Dai^#, T. Wang, J. Wang, Z. Zhu, Z. Xu, T. Sun, W. Li*, X. Zheng*, and X. Lin*, Achieving Ferroelectricity in a Centrosymmetric High-Performance Semiconductor by Strain Engineering, Advanced Materials, 35, 2300450 (2023)

10. W. Li*, X. Qian, and J. Li*, Phase Transitions in 2D Materials, Nature Reviews Materials, 6, 829-846 (2021)

11. W. Li, S. Poncé, and F. Giustino, Dimensional Crossover in the Carrier Mobility of 2D Semiconductors: The Case of InSe, Nano Letters, 19, 1774-1781 (2019)

12. W. Li and J. Li, Ferroelasticity and Domain Physics in Two-Dimensional Transition Metal Dichalcogenides, Nature Communications, 7, 10843 (2016)

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