Yuanyue Liu Group

Yuanyue Liu is developing and apply atomistic modelling methods to understand, design and discover materials for electronics and energy applications. The current focuses are charge transport, electrochemistry, and 2D materials. Yuanyue Liu received B.S. degree from University of Science and Technology of China (USTC) in 2008, and Ph.D. from Rice University in 2014. He did postdoc studies at National Renewable Energy Laboratory (NREL) and California Institute of Technology, and then joined UT in Fall 2017.

Selected Publications

1. Long Cheng, Chenmu Zhang, Yuanyue Liu*
   “Why two-dimensional semiconductors generally have low electron mobility”
   Phys. Rev. Lett., 2020, DOI: 10.1103/PhysRevLett.125.177701 (Editor’s suggestion)
2. Xunhua Zhao, Yuanyue Liu*
   “Unveiling the Active Structure of Single Nickel Atom Catalysis: Critical Roles of Charge Capacity and Hydrogen Bonding”
   J. Am. Chem. Soc. 2020, DOI: 10.1021/jacs.9b13872
3. L. Cheng, C. Zhang, Y. Liu*
   “The Optimal Electronic Structure for High-Mobility 2D Semiconductors: Exceptionally High Hole Mobility in 2D Antimony”
   J. Am. Chem. Soc., 2019, DOI: 10.1021/jacs.9b05923
4. L. Cheng and Y. Liu*
   “What Limits the Intrinsic Mobility of Electrons and Holes in Two Dimensional Metal Dichalcogenides?”
   J. Am. Chem. Soc., 2018, 140, 17895-17900
5. D. Kim, J. Shi, and Y. Liu*
   “Substantial Impact of Charge on Electrochemical Reactions of Two-Dimensional Materials”
   J. Am. Chem. Soc., 2018, 140, 9127-9131