Abstract

Coulombic efficiency and cycle life require further improvement in an ever-growing practical demand for lithium-ion batteries (LIBs), which are one of the most prevalent electrochemical energy storage systems. In this work, a more stable and highly lithium-ion (Li-ion) conductive artificial solid electrolyte interface (A-SEI) is constructed by coating polythiophene (PTh) on the surface of a graphite anode based on molecular dynamic simulations. Our findings reveal that PTh chains effectively prevent direct contact between the electrolyte and the negative electrode while providing a rapid transport channel for lithium ions (Li-ions), resulting in significantly shorter trapping times for Li-ions-at least two orders of magnitude shorter than those in the predominant component of traditional SEI layers.