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Statistical mechanical modeling of the transition Stage II → Stage I of Li-ion storage in graphite. A priori vs induced heterogeneity

Otero, Manuel et al · Pergamon-Elsevier Science Ltd · 2017

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Author / responsible party
Otero, Manuel et al
Publisher
Pergamon-Elsevier Science Ltd
Year
2017
ISSN
0013-4686
ISSN
0013-4686
Language
English

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An improved model to analyze the partial molar entropy step between stage II and stage I for lithium intercalation in graphite, based in statistical mechanics, is presented. At difference with our previous formulation, which assumed a priori heterogeneities, the present model considers the more realistic case of induced heterogeneities. The present work shows that, similarly to considerations made in the literature with intercalation cathode materials, most of the partial molar entropy changes for Li insertion into graphite may be explained on a configurational basis. The interaction between ions intercalated in a same layer of graphite can be inferred to be strongly attractive, as was assumed in the literature for the simulation of voltammetric profiles. 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. 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 Fil: Sigal, Agustín. 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. 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

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APA 7

Otero, M. E. A. (2017). Statistical mechanical modeling of the transition Stage II → Stage I of Li-ion storage in graphite. A priori vs induced heterogeneity. http://hdl.handle.net/11336/64714

MLA

Otero, Manuel et al. "Statistical mechanical modeling of the transition Stage II → Stage I of Li-ion storage in graphite. A priori vs induced heterogeneity." 2017. http://hdl.handle.net/11336/64714.

Chicago

Otero, Manuel et al. 2017. "Statistical mechanical modeling of the transition Stage II → Stage I of Li-ion storage in graphite. A priori vs induced heterogeneity.". http://hdl.handle.net/11336/64714.

Harvard

Otero, M. E. A. 2017, Statistical mechanical modeling of the transition Stage II → Stage I of Li-ion storage in graphite. A priori vs induced heterogeneity, Pergamon-Elsevier Science Ltd, available at: http://hdl.handle.net/11336/64714 [Accessed 8 Aug. 2026].

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Title
Statistical mechanical modeling of the transition Stage II → Stage I of Li-ion storage in graphite. A priori vs induced heterogeneity
Author / contributors
Otero, Manuel et al
Publisher
Pergamon-Elsevier Science Ltd
Publication year
2017
ISSN
0013-4686
ISSN
0013-4686
Language
English

Subjects

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Entropy; Graphite; Lithium-Ion Batteries; https://purl.org/becyt/ford/1.4; https://purl.org/becyt/ford/1; https://purl.org/becyt/ford/1.3; https://purl.org/becyt/ford/1
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