378 citations · 403 across the 5 of their papers we have counts for
5 papers
Observing Nucleation and Crystallization of Rocksalt LiF from Molten State through Molecular Dynamics Simulations with Refined Machine-Learned Force Field
Boyuan Xu, Liyi Bai, Shenzhen Xu +1
Lithium fluoride (LiF) is a critical component for stabilizing lithium metal anode and high-voltage cathodes towards the next-generation high-energy-density lithium batteries. Rece…
Theory of Cation Solvation in the Helmholtz Layer of Li-ion Battery Electrolytes
Zachary A. H. Goodwin, Daniel M. Markiewitz, Qisheng Wu +2
The solvation environments of Li in conventional non-aqueous battery electrolytes, such as LiPF in mixtures of ethylene carbaronate (EC) and ethyl methyl carbonate (EMC), a…
Localized High-Concentration Electrolytes Get More Localized Through Micelle-Like Structures
Corey M. Efaw, Qisheng Wu, Ningshengjie Gao +15
Liquid electrolytes in batteries are typically treated as macroscopically homogeneous ionic transport media despite having complex chemical composition and atomistic solvation stru…
Unveiling the Structural Origin of the High Carrier Mobility of a Molecular Monolayer on Boron Nitride
Rui Xu, Daowei He, Yuhan Zhang +10
Very recently, it was demonstrated that the carrier mobility of a molecular monolayer dioctylbenzothienobenzothiophene (C8-BTBT) on boron nitride can reach 10 cm2/Vs, the highest a…
Two-dimensional Quasi-Freestanding Molecular Crystals for High-Performance Organic Field-Effect Transistors
Daowei He, Yuhan Zhang, Qisheng Wu +18
Two-dimensional atomic crystals are extensively studied in recent years due to their exciting physics and device applications. However, a molecular counterpart, with scalable proce…