Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 114, Issue 35, Pages 15202-15206Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp104341t
Keywords
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Funding
- U.S. Department of Energy, FreedomCAR and Vehicle Technologies Office
- UChicago Argonne, LLC [DE-AC02-06CH11357]
- U.S. Department of Energy [DEAC02-98CH10886]
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Four boron-based anion receptors were investigated as electrolyte additives for lithium-ion batteries. The electrochemical performance of lithium-ion cells was found to strongly depend on the structure of the anion receptor added to the electrolyte. The capacity retention of the lithium-ion cell was slightly improved by adding 0.07 M bis(1,1,1,3,3,3-hexafluoroisopropyl)pentafluorophenylboronate additive, whereas the addition of 2,5-bis(trifluoromethylphenyl)tetrafluoro-1,3,2-benzodioxaborole dramatically deteriorated the electrochemical performance. The addition of a certain type of anion receptor can promote the electrochemical decomposition of the electrolyte, resulting in high interfacial impedance and accelerated capacity fading of lithium-ion cells. Ab initio calculations showed that the electrochemical performance of anion receptors had good correlation to the degree of localization of the lowest unoccupied molecular orbital at the boron center of anion receptors, which can potentially be used in the search for new anion receptors for lithium-ion batteries.
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