Relationship of ion transport and pressure in PEO/LITFSI solid electrolytes

doi:10.12028/j.issn.2095-4239.2018.0004

Abstract

Abstract: The relationship of ion transport and pressure in poly(ethylene oxide)/lithium salts(PEO/LITFSI) solid polymer electrolyte with different lithium salts concentration is firstly simulated by molecular dynamics (MD) method. Our simulation results demonstrate that the PEO polymer chains fold with the increased pressure, which will increase the interaction between lithium ions and TFSI anions and thus hinders the lithium ions transport in PEO/LITFSI solid electrolyte. Moreover, the molecular simulation results show a reduced lithium-ion diffusion coefficient and decreased ion transport ability in PEO/LITFSI under increased pressure. The present study will offer a theoretical basis for the applications of these solid electrolytes in high pressure environment.

Key words: PEO/LITFSI, pressure, diffusion, molecular dynamics

CLC Number:

TM911

CHEN Bingbing, ZHAO Jinwen, MA Jun, CUI Guanglei. Relationship of ion transport and pressure in PEO/LITFSI solid electrolytes[J]. Energy Storage Science and Technology, 2018, 7(3): 431-436.

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