Interface phenomena in Li-ion batteries
Thin-film Li-ion batteries are devices in which the active components – cathode, electrolyte and anode – are subsequently sputtered over one another. It has been acknowledged that the complex interface properties between the electrolyte and cathode materials are decisive for the cycling performance and the rate capability of lithium rechargeable batteries.
An increasingly popular solid electrolyte is represented by LiPON, a class of amorphous lithium phosphorous oxynitrides obtained via nitrogen-doping of Li3PO4 targets. This material offers
improved electrochemical performances, and, due to its low electronic conductivity, may also be used as a protecting layer for cathode materials.
By means of dynamic and static density functional calculations, we aim to rationalize the structural, thermodynamic and kinetic properties of the solid electrolyte and of its interface with the cathode.