INFIQC   05475
INSTITUTO DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Unidad Ejecutora - UE
artículos
Título:
A theoretical model to determine intercalation entropy and enthalpy: Application to lithium/graphite
Autor/es:
EDUARDO M. PERASSI; EZEQUIEL M. P. LEIVA
Revista:
ELECTROCHEMISTRY COMMUNICATIONS
Editorial:
ELSEVIER SCIENCE INC
Referencias:
Lugar: Amsterdam; Año: 2016 vol. 65 p. 48 - 52
ISSN:
1388-2481
Resumen:
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.