A theoretical model to determine intercalation entropy and enthalpy: Application to lithium/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 intercal...
| Authors: | , |
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| Format: | article |
| Status: | Published version |
| Publication Date: | 2016 |
| Country: | Argentina |
| Institution: | Consejo Nacional de Investigaciones Científicas y Técnicas |
| Repository: | CONICET Digital (CONICET) |
| Language: | English |
| OAI Identifier: | oai:ri.conicet.gov.ar:11336/52600 |
| Online Access: | http://hdl.handle.net/11336/52600 |
| Access Level: | Open access |
| Keyword: | Entropy Graphite Intercalation Lattice-Gas Lithium-Ion Battery Monte Carlo https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
| Summary: | 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. |
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