A collaborative investigation of the electrolyte structural and transport properties using molecular dynamics (MD) simulations and experiments will be presented for the carbonate and nitrile-based electrolytes. Raman spectroscopy, conductivity, viscosity and density measurements will be used together with MD results to provide insight into ionic aggregation and ion transport with the focus on the behavior of carbonate electrolytes with LiBF4, LiDFOB and LiBOB salts and nitrile-based electrolyte. Our initial study1 of the solid electrolyte interphase (SEI) compounds will be extended to investigate the LiF aggregation in carbonate solvents and SEI components such as dilithium ethylene dicarbonate (Li2EDC). Ion transport in bulk and at grain boundaries between LiF and Li2EDC will be discussed. References 1. Borodin, O.; Zhuang, G. V.; Ross, P. N.; Xu, K., J. Phys. Chem. C 2013,  117, 7433.

Insight into structure and transport of carbonate, nitrile electrolytes, and SEI components

248th National Meeting (2014)

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