Role of Mixed Solvation and Ion Pairing in the Solution Structure of Lithium Ion Battery Electrolytes

By Daniel M. Seo, S. Reininger, M. Kutcher, K. Redmond, W. B. Euler, B. Lucht. 2015

284 citations recorded by the source corpus.

The solution structures of organic carbonate solvents (ethylene carbonate (EC), propylene carbonate (PC), dimethyl carbonate (DMC), and diethyl carbonate (DEC)) as electrolyte solutions of LiPF6 were investigated with FTIR and NMR spectroscopy and DFT computational methods. Both coordinated and uncoordinated solvents are observed by IR spectroscopy, allowing the determination of solvent coordination numbers, which a range from 2 to 5. The predominant species in solution changes as a function of LiPF6 concentration. At low salt concentrations ( 2.0 M) the predominant species in solution is the contact ion pair. In mixed solvent systems (PC–DMC, PC–DEC, EC–DMC, or EC–DEC), the mixed solvated cations are observed in the presence of high concentrations of uncoordinated cyclic carbonate despite the much larger dielectric constant of the cyclic carbonates than dielectric constant of linear carbonate.

Subfields: Automotive Engineering, Electrical and Electronic Engineering

View Paper: https://www.semanticscholar.org/paper/1794cb36b0bc087856441dc27b8028d79e111253

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In Automotive Engineering

  1. Tingzheng Hou
  2. Guang Yang
  3. Nav Nidhi Rajput
  4. Julian Self
  5. J. Nanda
  6. Kristin A. Persson

In Electrical and Electronic Engineering

  1. Tingzheng Hou
  2. Guang Yang
  3. Sang-Won Park
  4. Nav Nidhi Rajput
  5. Julian Self
  6. J. Nanda
  7. Kristin A. Persson

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