Structural Analyses of [Li Salt+Triglyme)] and Ionic Transport in Li-Air Battery Using Molecular Dynamics Simulation

Authors

  • Md Khorshed Alam Department of Physics, University of Barishal, Kornokathi, Barishal-8200, Bangladesh
  • Wataru Yamamoto Department of Environmental Chemistry and Chemical Engineering, School of Advanced Engineering, Kogakuin University, 2665-1 Nakano, Hachioji, Tokyo 192-0015, Japan
  • Hiromitsu Takaba Department of Environmental Chemistry and Chemical Engineering, School of Advanced Engineering, Kogakuin University, 2665-1 Nakano, Hachioji, Tokyo 192-0015, Japan

DOI:

https://doi.org/10.3329/bjphy.v27i1.49723

Keywords:

Li, TFSA, Molecular Dynamics, Li-air Battery. 1.

Abstract

In this work, molecular dynamics (MD) study of triglyme (G3) solution containing lithium bis (trifluoro methyl sulfonyl) amide (Li[TFSA]) were investigated using classical atomistic force fields. G3 is a typical solvent used in non-aqueous Li-air battery. It shows here coordination of Li+ with G3 and [TFSA]- does not significantly change with increasing the concentration of G3 but self-diffusion coefficient of all the ions increases with increasing G3 concentration. The density of [Li(G3)[TFSA] complex decreases with increasing G3 concentration which lead to accelerate diffusivity of ions.

Bangladesh Journal of Physics, 27(1), 13-22, June 2020

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Published

2020-10-13

How to Cite

Alam, M. K., Yamamoto, W., & Takaba, H. (2020). Structural Analyses of [Li Salt+Triglyme)] and Ionic Transport in Li-Air Battery Using Molecular Dynamics Simulation. Bangladesh Journal of Physics, 27(1), 13–22. https://doi.org/10.3329/bjphy.v27i1.49723

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