Anisotropically tuning interfacial thermal conductance between graphite and poly(ethylene oxide) by lithium-ion intercalation: A molecular dynamics study

Understanding interfacial thermal transport between lithiated two-dimensional materials and polymers can provide useful guidelines to design thermally tunable conductive composites for efficient management of energy systems. In this work, molecular dynamics simulations are conducted investigate the effect lithium (Li)-ion intercalation on graphite poly(ethylene oxide) (PEO). Results show that Li-ion anisotropically affects enhancement conductance (ITC) PEO. The cross-plane ITC monotonically increases with increasing degree lithiation, while a significant in-plane is only observed when host fully lithiated. anisotropic be attributed intercalation-induced strong Lennard-Jones interactions two contacting materials. This work may open up new opportunities polymeric controllable interfaces through ion 2D