作为第一/通讯作者（含共同）在Nature（2篇）、Science（2篇）、PRL、NSR、Nat. Commun.、JACS、AM、ACS Nano、Angew等国际权威学术期刊发表论文20余多篇。受国际最大科研期刊出版社Springer Nature邀请出版学术专著。获未来女科学家计划(2023)、北京市科技新星计划(2024)、博士后创新人才支持计划(2021)、北京市优秀毕业生(2020)、北大优秀博士论文(2020)等多项荣誉。作为项目负责人主持国家自然科学基金重大研究计划和青年项目、重庆市自然科学基金面上项目；作为研究骨干参与国家科技部重点研发计划、国家自然科学基金重点项目。

近期主要论文：

(1) C.T. Wu, D.R. Xu, Y.J. Li, T. Liu, J.H. Xie, W.Q. Luo, Z.W. Wu, Y.F. Su, D.Y. Cao; Machine-learning-driven global exploration reveals atomic-scale degradation of LiNiO2 during delithiation, Journal of Materials Chemistry A, 2026 (Accepted) (通讯作者)

(2) W.Q. Luo, H.X. Xu, Y.H. Wang, Z.Y. Zhan, Z.Y. Xia, J. Guo, Y.F. Su, J.W. Chen, Y.H. Hong, D.Y. Cao; Atomic-scale structural inversion of interfacial water from atomic force microscopy, The Journal of Chemical Physics, 2026, 164, 194106 (Cover PDF) (通讯作者)

(3) C.T. Wu, Y.J. Li, T. Liu, W.Q. Luo, J.H. Xie, Y.J. Li, Y.F. Su, D.Y. Cao; Stacking Dependent Interfacial Water Dynamics Govern the Aqueous Degradation of Layered LiCoO2 Cathodes, ChemSusChem, 2026, 19(9):e70691 (通讯作者)

(4) H.Y. Ye, C.T. Wu, D.Y. Cao, G.R. Zhang, Y.H. Sun, Y.C. Zhu, F. Wu, Z.H. Zhang, R.M. Wang; Atomically resolved two-dimensional amorphous nuclei formed during MoS2 chemical vapor deposition, Science, 2026, 391(6785):622-627 (共同第一作者)

(5) Y. Tian, J.N. Hong, D.Y. Cao, S.F. You, Y.Z. Song, B.W. Cheng, Z.C. Wang, D. Guan, X.M. Liu, Z.P. Zhao, X.Z. Li, L.M. Xu, J. Guo, J. Chen, E.G. Wang, Y. Jiang; Visualizing Eigen/Zundel cations and their interconversion in monolayer water on metal surfaces, Science, 2022, 377(6603):315-319 (共同第一作者)

(6) R.Z. Ma, D.Y. Cao, C.Q. Zhu, Y. Tian, J.B. Peng, J. Guo, J. Chen, X.Z. Li, J.S. Francisco, X.C. Zeng, L.M. Xu, E.G. Wang, Y. Jiang, Atomic imaging of the edge structure and growth of a two-dimensional hexagonal ice, Nature, 2020, 577(7788):60-63 (共同第一作者)

(7) J.B. Peng, D.Y. Cao, Z.L. He, J. Guo, P. Hapala, R.Z. Ma, B.W. Cheng, J. Chen, W.J. Xie, X.Z. Li, P. Jelínek, L.M. Xu, Y.Q. Gao, E.G. Wang, Y. Jiang; The effect of hydration number on the interfacial transport of sodium ions, Nature, 2018, 557(7707):701-705 (共同第一作者)

(8) P. Yang, C. Zhang, W.Y. Sun, J. Dong, D.Y. Cao, J. Guo, Y. Jiang; Robustness of Bilayer Hexagonal Ice against Surface Symmetry and Corrugation, Physical Review Letters, 2022, 129(4):046001 (通讯作者)

(9) B.Z. Tang, Y.Z. Song, M. Qin, Y. Tian, Z.W. Wu, Y. Jiang, D.Y. Cao, L.M. Xu; Machine learning aided atomic structure identification of interfacial ionic hydrates from AFM images, National Science Review, 2023, 10(7):nwac282 (通讯作者)

(10) W.Y. Sun, P. Yang, Y.K. Jiang, J.W. Zhang, H.R. Zhang, Q.W. Jin, C. Zhang, Z.H. Zhang, H.F. Feng, Y. Du, Z.C. Wang, D.Y. Cao, F. Wu, Y. Jiang, J. Guo; Visualizing alkali metal aggregation-induced coordination in CO2 activation on copper, Nature Communications, 2025, 16(1):9463 (通讯作者)

(11) P. Yang, H.G. Liu, Q.W. Jin, Y.M. Lai, Y. Zeng, C. Zhang, J. Dong, W.Y. Sun, Q. Guo, D.Y. Cao, J. Guo; Visualizing the Promoting Role of Interfacial Water in the Deprotonation of Formic Acid on Cu(111), Journal of the American Chemical Society, 2024, 146(1):210-217 (通讯作者)

(12) C.T. Wu, T. Liu, X.Y. Ran, Y.F. Su, Y. Lu, N. Li, L. Chen, Z.W. Wu, F. Wu, D.Y. Cao; Advancing Accurate and Efficient Surface Behavior Modeling of Al Clusters with Machine Learning Potential, The Journal of Physical Chemistry C, 2023, 127(38):19115-19126 (通讯作者)

(13) C. Li, H.N. Yuan, T. Liu, R. Zhang, J.X. Zhu, H.L. Cui, Y.B. Wang, D.Y. Cao, D.H. Wang, C.Y. Zhi; Distinguish MnO2/Mn2+ Conversion/Zn2+ Intercalation/H+ Conversion Chemistries at Different Potentials in Aqueous Zn||MnO2 Batteries, Angewandte Chemie International Edition, 2024, 63:e202318721 (通讯作者)

(14) X. Xia, T. Liu, C. Cheng, H.T. Li, T.R. Yan, H.L. Hu, Y.H. Shen, H.X. Ju, T.S. Chan, Z.W. Wu, Y.F. Su, Y. Zhao, D.Y. Cao, L. Zhang; Suppressing the Dynamic Oxygen Evolution of Sodium Layered Cathodes through Synergistic Surface Dielectric Polarization and Bulk Site-Selective Co-Doping, Advanced Materials, 2022, 35:2209556 (通讯作者)

(15) X.L. Li, T. Liu, P. Li, G.J. Liang, Z.D. Huang, Z. Chen, A. Chen, Y.F. Su, L.J. Yang, D.Y. Cao, C.Y. Zhi; Aqueous Alkaline Zinc-Iodine Battery with Two-Electron Transfer, ACS Nano, 2025, 19(2):2900-2908 (通讯作者)

(16) D.Y. Cao, Y.Z. Song, B.Z. Tang, L.M. Xu; Advances in Atomic Force Microscopy: Imaging of Two- and Three-Dimensional Interfacial Water, Frontiers in Chemistry, 2021, 9:745446 (共同第一作者、通讯作者)