Scientific Achievement

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.

Research Details

• 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.

DOI: 10.1039/c3sc51476e.

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