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

作者：Perassi Eduardo M^*; Leiva Ezequiel P M^*

来源：Electrochemistry Communications, 2016, 65: 48-52.

DOI：10.1016/j.elecom.2016.02.003

• Entropy
• Intercalation
• Lithium-ion battery
• Lattice-gas
• Monte Carlo
• Graphite

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.

• 出版日期2016-4