(1) X.-H. Yang, M. Papasizza, A. Cuesta, and J. Cheng, “Water-In-Salt Environment Reduces the Overpotential for Reduction of CO2 to CO2– in Ionic Liquid/Water Mixtures,” ACS Catal 12, 6770–6780 (2022).
(2) X.-H Yang, Y. Zhuang, J. Zhu, J. Le, and J. Cheng, “Recent progress on multiscale modeling of electrochemistry,” Wiley Interdiscip. Rev.: Comput. Mol. Sci. 12(1), e1559 (2021).
(3) X.-H. Yang, A. Cuesta, and J. Cheng, “The energetics of electron and proton transfer to CO2 in aqueous solution,” Phys Chem Chem Phys 23(38), 22035–22044 (2021).
(4) X.-H. Yang, A. Cuesta, and J. Cheng, “Computational Ag/AgCl Reference Electrode from Density Functional Theory-Based Molecular Dynamics,” J Phys Chem B 123(48), 10224–10232 (2019).
(5) X.-H. Yang, P.-B. Kang, F.-J. Xu, Y.-C. Jin, Y.-H. Tang, Y.-Y. Su, J.-P. Qiu, and J. Cheng, “Artificial intelligence and computational chemistry: a new perspective for electroplating-surface-interface research,” Sci. Sin. Chim. 53(10), 1940–1953 (2023).
(6) J.-Q. Yang, J.-P. Qiu, L. Jin, Z.-Y. Wang, T. Song, Y. Zhao, X.-H. Yang*, J. Cheng, F.-Z. Yang*, and D.-P. Zhan*, “Molecular structure impacts of tetrazole derivatives on their diffusion and adsorption behaviors for microvia copper void-free filling,” Surf. Interfaces 44, 103679 (2024).
(7) Y.-X. Yang, X.-H. Yang, M.-L. Huang, L.-W. Wu, Z. Liu, J. Cheng, and Y.-F. Huang, “In Situ Spectroscopic Elucidation of the Electrochemical Potential Drop at Polyelectrolytes/Au Interfaces,” J. Phys. Chem. Lett. 15(3), 701–706 (2024).
(8) J.-B. Le, X.-H. Yang, Y.-B. Zhuang, M. Jia, and J. Cheng, “Recent Progress toward Ab Initio Modeling of Electrocatalysis,” J Phys Chem Lett 12(37), 8924–8931 (2021).
(9) M. Papasizza, X. Yang, J. Cheng, and A. Cuesta, “Electrocatalytic reduction of CO2 in neat and water-containing imidazolium-based ionic liquids,” Curr Opin Electrochem 23, 80–88 (2020).