期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 8, 期 3, 页码 641-646出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.6b02662
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资金
- National Science Foundation under DMREF Award [NSF-CHE-1335486]
- Resnick Sustainability Institute
- Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725, DE-AC02-05CH11231]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1335486] Funding Source: National Science Foundation
Solid polymer electrolytes (SPEs) have the potential to increase both the energy density and stability of lithium-based batteries, but low Li+ conductivity remains a barrier to technological viability. SPEs are designed to maximize Li+ diffusivity relative to the anion while maintaining sufficient salt solubility. It is thus remarkable that poly(ethylene oxide) (PEO), the most widely used SPE, exhibits Li+ diffusivity that is an order of magnitude smaller than that of typical counterions at moderate salt concentrations. We show that Lewis-basic polymers like PEO favor slow cation and rapid anion diffusion, while this relationship can be reversed in Lewis-acidic polymers. Using molecular dynamics, polyboranes are identified that achieve up to 10-fold increases in Li+ diffusivities and significant decreases in anion diffusivities, relative to PEO in the dilute-ion regime. These results illustrate a general principle for increasing Li+ diffusivity and transference number with chemistries that exhibit weaker cation and stronger anion coordination.
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