The role of interfaces(interphases) in Li-ion batteries: theoretical considerations

LEIVA, E. P. M.; ALVAREZ AGUSTIN ; LENER GERMÁN; LUQUE GUILLERMINA ; PARA LAURA ; VELEZ PATRICIO; PAZ ALEXIS; GAVILÁN ARRIAZU, E. M.; OVIEDO O. A.; PINTO O. A; LOPEZ DE MISHIMA, B.; OLIVA FABIANA; CAMARA OSVALDO; BARRACO, D.E.

Bologna

Conferencia; The 69th Annual Meeting of the International Society of Electrochemistry; 2018

Lithium-ionbatteries have allowed to design lightweight accumulators, of small size andvaried shapes, with high performance and reliability, specially adapted to theapplications of the consumer electronics industry. At first sight, it couldappear that the most important properties to consider by these energyaccumulation systems are the bulky ones, since Li-ion is stored in many cases inmassive materials. However, this phenomenon involves always the transfer ofions and electrons across interphases, so that in many cases kinetic issues arecritical to achieve an efficient energy storage.In the presenttalk we address, by means of computer simulations, a few Li-ion storagematerials in which accounting for interphases and kinetic behavior is essentialto understand and tune the performance of these materials.   The figure belowillustrates different systems containing Li-ions where interphase effects areimportant:  core-shell formation inanodic materials (a), the occurrence of phase boundaries in graphite (b) and theadsorption of polysulfides on a doped graphite surface.