Achieved record performance in Li2S cathodes by using ab initio simulations to guide our rational selection of effective bifunctional binders.
Significance and Impact
Rational materials design could lead to low-cost and high-performance Li2S cathodes that can be paired with safer, lithium metal-free anodes for use in emerging applications such as vehicle electrification and grid-scale energy storage.
- A rational approach was taken by first using ab initio simulations to elucidate the poorly-understood interaction between Li2S and various functional groups found in macromolecular binders.
- Poly(vinylpyrrolidone) (PVP) was then selected as a promising bifunctional binder which exhibits strong affinity with both Li2S and lithium polysulfides.
- Using PVP as a binder for Li2S cathodes, we demonstrate unprecedented stable cycling performance over prolonged 500 charge/discharge cycles.
Work was performed at SLAC National Accelerator Laboratory (JCESR partner). Z. W. Seh, Q. Zhang, W. Li, G. Zheng, H. Yao, Y. Cui, Chem. Sci. 2013.