Adsorption of Fluorinated Ether Electrolyte Solvent Molecules on Boron Nitride Nanosheets Studied by Solid-State NMR and Computational Methods

Boron nitride has recently been shown to play advantageous roles in lithium battery performance through its use as an electrolyte additive. However, its interactions with the electrolyte species remain poorly understood. In this work, a combination of solid-state nuclear magnetic resonance (NMR) spectroscopy and computational simulations has been used to probe the adsorption of a fluorinated electrolyte solvent molecule onto the surface of boron nitride nanosheets. 19F magic angle spinning NMR spectra obtained from a sample of BN nanosheets wetted with a 1,1,2,2-tetrafluoroethyl 2,2,3,3-tetrafluoropropyl ether (TTE)-based electrolyte show asymmetric peak shapes that stem from ring current effects arising from the aromatic nature of the BN sheets, which, along with computational analysis, provide information on the orientation of this solvent molecule when adsorbed on the BN surface.