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

LEIVA EZEQUIEL P. M.; AGUSTIN ALVAREZ ; GERMAN LENER; GUILLERMINA LUQUE; LAURA PARA; PATRICIO VELEZ; ALEXIS PAZ ; MAXIMILIANO GAVILAN; OSCAR OVIEDO; OSCAR PINTO ; BEATRIZ LOPEZ; FABIANA OLIVA; OSVALDO CAMARA; DANIEL BARRACO

Congreso; 69th Annual ISE Meeting in Bologna; 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.