First-principles studies of lithium storage in reduced graphite oxide

The present work performs a first-principles study of the lithiation of graphite oxides with low oxygencontent, which resemble reduced graphite oxide materials. The chemical nature of the Li structure formedis analysed, leading to the conclusion that the nature of lithium binding in these materials...

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Autores principales:	Robledo, C.B., Otero, Manuel, Luque, Guillermina L., Cámara, Osvaldo R., Barraco, Daniel Eugenio, Rojas, Mariana I., Leiva, Ezequiel Pedro Marcos
Formato:	article
Lenguaje:	Inglés
Publicado:	2022
Materias:	Lithium storage Reduced graphite oxide Density functional theory
Acceso en línea:	http://hdl.handle.net/11086/26759 https://doi.org/10.1016/j.electacta.2014.07.013 https://doi.org/10.1016/j.electacta.2014.07.013
Aporte de:	Repositorio Digital Universitario (UNC) de Universidad Nacional de Córdoba

id	I10-R141-11086-26759
record_format	dspace
institution	Universidad Nacional de Córdoba
institution_str	I-10
repository_str	R-141
collection	Repositorio Digital Universitario (UNC)
language	Inglés
topic	Lithium storage Reduced graphite oxide Density functional theory
spellingShingle	Lithium storage Reduced graphite oxide Density functional theory Robledo, C.B. Otero, Manuel Luque, Guillermina L. Cámara, Osvaldo R. Barraco, Daniel Eugenio Rojas, Mariana I. Leiva, Ezequiel Pedro Marcos First-principles studies of lithium storage in reduced graphite oxide
topic_facet	Lithium storage Reduced graphite oxide Density functional theory
description	The present work performs a first-principles study of the lithiation of graphite oxides with low oxygencontent, which resemble reduced graphite oxide materials. The chemical nature of the Li structure formedis analysed, leading to the conclusion that the nature of lithium binding in these materials is completelydifferent from that observed in pristine graphite. The stability of the lithium structures formed underdifferent loadings is studied, with the finding that the lithiation potentials predicted are within the rangesof the values observed experimentally.
format	article
author	Robledo, C.B. Otero, Manuel Luque, Guillermina L. Cámara, Osvaldo R. Barraco, Daniel Eugenio Rojas, Mariana I. Leiva, Ezequiel Pedro Marcos
author_facet	Robledo, C.B. Otero, Manuel Luque, Guillermina L. Cámara, Osvaldo R. Barraco, Daniel Eugenio Rojas, Mariana I. Leiva, Ezequiel Pedro Marcos
author_sort	Robledo, C.B.
title	First-principles studies of lithium storage in reduced graphite oxide
title_short	First-principles studies of lithium storage in reduced graphite oxide
title_full	First-principles studies of lithium storage in reduced graphite oxide
title_fullStr	First-principles studies of lithium storage in reduced graphite oxide
title_full_unstemmed	First-principles studies of lithium storage in reduced graphite oxide
title_sort	first-principles studies of lithium storage in reduced graphite oxide
publishDate	2022
url	http://hdl.handle.net/11086/26759 https://doi.org/10.1016/j.electacta.2014.07.013 https://doi.org/10.1016/j.electacta.2014.07.013
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bdutipo_str	Repositorios
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First-principles studies of lithium storage in reduced graphite oxide

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