Statistical mechanical modeling of the transition Stage II ! Stage I of Li-ion storage in graphite. A priori vs induced heterogeneity

M. OTERO; A. SIGAL; E. M. PERASSI; D. BARRACO; E. P. M LEIVA

ELECTROCHIMICA ACTA

PERGAMON-ELSEVIER SCIENCE LTD

Lugar: Amsterdam; Año: 2017 vol. 245 p. 569 - 574

0013-4686

An improved model to analyze the partial molar entropy step between stage II and stage I for lithiumintercalation in graphite, based in statistical mechanics, is presented. At difference with our previousformulation, which assumed a priori heterogeneities, the present model considers the more realistic caseof induced heterogeneities. The present work shows that, similarly to considerations made in theliterature with intercalation cathode materials, most of the partial molar entropy changes for Li insertioninto graphite may be explained on a configurational basis.The interaction between ions intercalated in a same layer of graphite can be inferred to be stronglyattractive,aswasassumedintheliteratureforthesimulationofvoltammetricprofiles.