التفاصيل البيبلوغرافية
| العنوان: |
Energetics of silica lithiation and its applications to lithium ion batteries |
| المؤلفون: |
Lener, German, Otero, Manuel, Barraco Diaz, Daniel Eugenio, Leiva, Ezequiel Pedro M. |
| بيانات النشر: |
Pergamon-Elsevier Science Ltd |
| المجموعة: |
CONICET Digital (Consejo Nacional de Investigaciones Científicas y Técnicas) |
| مصطلحات موضوعية: |
DFT, FREE ENERGY, LITHIATION POTENTIAL, LITHIUM BATTERY, SIO2 ELECTRODE, https://purl.org/becyt/ford/1.3, https://purl.org/becyt/ford/1 |
| الوصف: |
Silica based materials are important candidates as anodes for lithium ion batteries due to their high specific capacity, low production and material cost and abundance in the earth crust. Silica lithiation leads to reversible and irreversible reactions to produce silicon, lithium oxide and lithium silicates. The final composition of these products confers a variety of electrochemical performances, particularly concerning their specific capacity and stability/cyclability of the electrodes. Knowledge on the thermochemistry of these reactions is relevant to analyze the thermodynamic stability and potential occurrence of the different phases. In this work, the free energy of reaction for the lithiation of silica is calculated for different products. The present first principles studies indicate that the formation of products is a highly exothermic and endergonic process in all cases. In the case of SiO2 lithiation, the free energy shows that the reaction to form Li2Si2O5 is highly exothermic, having the greatest probability of formation. The lithiation potentials and stability of different products are analyzed in the context of experimental results from the literature. ; Fil: Lener, German. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina ; Fil: Otero, Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina ; Fil: Barraco Diaz, Daniel Eugenio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro ... |
| نوع الوثيقة: |
article in journal/newspaper |
| وصف الملف: |
application/pdf |
| اللغة: |
English |
| تدمد: |
0013-4686 |
| Relation: |
info:eu-repo/semantics/altIdentifier/url/http://linkinghub.elsevier.com/retrieve/pii/S001346861732248X; http://hdl.handle.net/11336/64770; Lener, German; Otero, Manuel; Barraco Diaz, Daniel Eugenio; Leiva, Ezequiel Pedro M.; Energetics of silica lithiation and its applications to lithium ion batteries; Pergamon-Elsevier Science Ltd; Electrochimica Acta; 259; 1-2018; 1053-1058; CONICET Digital; CONICET |
| الاتاحة: |
http://hdl.handle.net/11336/64770 |
| Rights: |
info:eu-repo/semantics/openAccess ; https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
| رقم الانضمام: |
edsbas.81C01099 |
| قاعدة البيانات: |
BASE |