ABSTRACT
This chapter utilizes molecular dynamic simulations to examine the molecular effects of functional polymers on the Li+ transport at the LiFePO cathode/electrolyte interface. Due to high power and energy densities, lithium-ion batteries (LIBs) have become common energy storage devices for electronic systems and mobile digital devices. One of the widely applied commercial binders for LIBs is poly(vinylidene difluoride) , due to its good electrochemical stability and adhesion. Applying the concepts of polymer electrolytes, introducing ion-conducting polymers into binders to improve LIB performance has been reported in various studies. The strong Li+ coordination of poly(ethylene oxide) can be further related to the improved dispersibility of active materials. A study on PEDOT:PSS binder demonstrated an improved cell capacity under high C-rate, which can be correlated with the enhanced Li+ drift velocity induced by poly(styrene sulfonate) shown by molecular dynamics results.
