A theoretical model to determine intercalation entropy and enthalpy: Application to lithium/graphite

Perassi, Eduardo Marcelo
Leiva, Ezequiel Pedro M.

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Publication date

April 2016

DOI

10.1016/j.elecom.2016.02.003

Publisher

Elsevier BV

ISSN

1388-2481

Journal

Electrochemistry Communications

Citation count (estimate)

Abstract

Intercalation compounds play a fundamental role to increase the capabilities of electrochemical cells to store energy. A new computational model is developed to calculate the intercalation entropy and enthalpy in electrochemical intercalation compounds. The new methodology is applied to the intercalation of lithium ions into graphite, finding a good agreement with experimental measurements. The main features of the experimental data are correctly reproduced, including the step in the intercalation entropy and enthalpy for the stage II to stage I transition.Fil: Perassi, Eduardo Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química ...