44 citations · 47 across the 3 of their papers we have counts for
4 papers
An Ab Initio Investigation on the Electronic Structure, Defect Energetics, and Magnesium Kinetics in MgBi
Jeongjae Lee, Bartomeu Monserrat, Ieuan Seymour +3
We present a comprehensive ab initio investigation on MgBi, a promising Mg-ion battery anode material with high rate capacity. Through combined DFT (PBE, HSE06) and $G_0W_0…
Electronic nature of coverage-dependent nanosurface effect by cooperative orbital redistribution
Guolei Xiang, Yan Tang, Zigeng Liu +6
Nanomaterial surface states can effectively modify or even dominate their physical and chemical properties due to large surface-to-volume ratios. Such surface effects are highly de…
Understanding LiOH Chemistry in a Ruthenium Catalyzed Li-O2 Battery
Tao Liu, Zigeng Liu, Gunwoo Kim +3
Non-aqueous Li-O2 batteries are promising for next generation energy storage. New battery chemistries based on LiOH, rather than Li2O2, have recently been reported in systems with…
The Effect of Water on Quinone Redox Mediators in Non- aqueous Li-O2 Batteries
Tao Liu, James T. Frith, Gunwoo Kim +8
The parasitic reactions associated with reduced oxygen species and the difficulty in achieving the high theoretical capacity have been major issues plaguing development of practica…