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Journal of the American Chemical Society|December 23, 2017
Tellurium: Fast Electrical and Atomic Transport along the Weak Interaction DirectionYuanyue Liu, Wenzhuo Wu, William A GoddardJournal of the American Chemical Society|December 15, 2016
Schottky-Barrier-Free Contacts with Two-Dimensional Semiconductors by Surface-Engineered MXenesYuanyue Liu, Hai Xiao, William A GoddardNano Letters|April 22, 2016
Two-Dimensional Halide Perovskites: Tuning Electronic Activities of DefectsYuanyue Liu, Hai Xiao, William A GoddardPhysical Review Letters|January 15, 2011
Graphene edge from armchair to zigzag: the origins of nanotube chirality?Yuanyue Liu, Alex Dobrinsky, Boris I YakobsonNano Letters|December 12, 2012
Predicting dislocations and grain boundaries in two-dimensional metal-disulfides from the first principlesXiaolong Zou, Yuanyue Liu, Boris I YakobsonProceedings of the National Academy of Sciences of the United States of America|September 6, 2012
Equilibrium at the edge and atomistic mechanisms of graphene growthVasilii I Artyukhov, Yuanyue Liu, Boris I YakobsonPhysical Review Letters|October 5, 2025
Accurate Ab Initio Method for Charged Defect ScatteringRongjing Guo, Kwangrae Kim, Zhongcan Xiao, et al.Journal of Chemical Theory and Computation|July 28, 2025
Constant-Potential Machine Learning Force Field for the Electrochemical InterfaceRuoyu Wang, Shaoheng Fang, Qixing Huang, et al.Proceedings of the National Academy of Sciences of the United States of America|March 23, 2016
Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metalsYuanyue Liu, Boris V Merinov, William A GoddardJournal of the American Chemical Society|December 21, 2024
What Is the "Other" Site in M-N-C?Zachary Levell, Saerom Yu, Ruoyu Wang, et al.Pageof 111