Reducing interfacial thermal resistance between polyethylene oxide-based solid-state polymer electrolyte and lithium anode by using IVA group two-dimensional materials: A molecular dynamics study

Abstract

Solid-state lithium-ion batteries, as a new generation of high energy density electrochemical energy storage devices, need to meet more stringent thermal management standards. In this work, the interfacial thermal transport phenomena between a polyethylene oxide based solid electrolyte and a lithium anode in solid-state lithium-ion batteries was investigated by using a non-equilibrium molecular dynamics simulation method. To reveal the internal heat transport mechanism of the batteries at the microscopic level and to enhance the heat dissipation in them, IVA group two-dimensional monolayer materials such as graphene, silicene, and germanene were inserted at the interface and the interfacial thermal resistances were calculated to compared with the pristine interface. It was found that interfacial interactions were enhanced and the lattice vibrations were coupled by inserting the monolayer materials. Also, compared to the pristine interface, the interfacial thermal resistance was reduced by 83.89 %, 76.05 % and 55.99 %, respectively. Thus, this work provides valuable insights into the thermal transport between electrodes and electrolytes in solid-state lithium-ion batteries, and provides methodological references for improving the heat dissipation and thermal management efficiency inside the batteries.