IFEG 20353
INSTITUTO DE FISICA ENRIQUE GAVIOLA
Unidad Ejecutora - UE
artículos
Título:
The kinetic origin of the Daumas-Hérold model for the Li-ion/graphite intercalation system
Autor/es:
LÓPEZ DE MISHIMA, B.A.; LEIVA, E.P.M.; PINTO, O.A.; OVIEDO, O.A.; GAVILÁN-ARRIAZU, E.M.; BARRACO, D.E.
Revista:
ELECTROCHEMISTRY COMMUNICATIONS
Editorial:
ELSEVIER SCIENCE INC
Referencias:
Año: 2018
ISSN:
1388-2481
Resumen:
Kinetic Monte Carlo (kMC) simulations are applied to simulate the insertion of Li ions into graphite. The present results show how the kinetics oflithium-ion intercalation in graphiterulesthe global process, making it difficult to reach thermodynamic equilibrium.The relatively slow rate of the events of insertion (deinsertion) of Li-ion into (from) the graphite are found to be responsiblefor the intercalation mechanism proposed by Daumas-Hérold. Thesearrangements can be be considered as frustrated, metastable structures, with a higher energy than that of the equilibrium state
