Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 116, Issue 50, Pages 26111-26117Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp303610t
Keywords
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Funding
- Advanced Battery Research for Transportation Program of Department of Energy (DOE-ABRT) [DE-IA01-11EE003413]
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In electrolytes with unique electrochemical signature, the structure of Li+ solvation sheath was quantitatively analyzed in correlation with its electrochemical behavior on graphitic anodes. For the first time, a direct link between Li+ solvation sheath structure and formation chemistry of the solid electrolyte interphase (SEI) is established. Quantum chemistry calculations and molecular dynamics simulations were performed to explain the observed reversed preference of propylene carbonate (PC) over ethylene carbonate (EC) by Li+.
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