Synthesis and Characterization of LiCoO2 from Different Precursors by Sol-Gel Method

Detalhes bibliográficos
Autor(a) principal: Freitas,Bruno G. A.
Data de Publicação: 2017
Outros Autores: Siqueira Jr.,José M., Costa,Leonardo M. da, Ferreira,Glaucio B., Resende,Jackson A. L. C.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Journal of the Brazilian Chemical Society (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001102254
Resumo: Lithium cobalt oxide, LiCoO2, widely used as cathode in lithium ion batteries was synthesized and their structural and electronic properties investigated. The crystalline powders were prepared by the sol-gel method with four complexing agents: citric acid, glycine, starch and gelatin. These syntheses were compared with the blank test (without complexing agent). The X-ray diffraction and vibrational spectroscopy allowed the identification of the rhombohedral phase LiCoO2 (R3m) as the only or principal crystalline component in all samples. A small fraction of a second phase of cubic spinel Co3O4 was observed in the samples of starch, gelatin and the blank test. The Rietveld refinements showed small structural variations, indicating reduced influence of the complexing agents on the synthesis. The theoretical HOMO-LUMO (highest occupied molecular orbital-lowest unoccupied molecular orbital) gap values are in agreement to those estimated by diffuse reflectance spectroscopy (DRS). The scanning electron microscopy (SEM) showed morphological pattern regardless of the complexing agent used, showing an alternative method.
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spelling Synthesis and Characterization of LiCoO2 from Different Precursors by Sol-Gel MethodLiCoO2sol-gel methodXRDRietveld refinementlithium ion batteriesDFTLithium cobalt oxide, LiCoO2, widely used as cathode in lithium ion batteries was synthesized and their structural and electronic properties investigated. The crystalline powders were prepared by the sol-gel method with four complexing agents: citric acid, glycine, starch and gelatin. These syntheses were compared with the blank test (without complexing agent). The X-ray diffraction and vibrational spectroscopy allowed the identification of the rhombohedral phase LiCoO2 (R3m) as the only or principal crystalline component in all samples. A small fraction of a second phase of cubic spinel Co3O4 was observed in the samples of starch, gelatin and the blank test. The Rietveld refinements showed small structural variations, indicating reduced influence of the complexing agents on the synthesis. The theoretical HOMO-LUMO (highest occupied molecular orbital-lowest unoccupied molecular orbital) gap values are in agreement to those estimated by diffuse reflectance spectroscopy (DRS). The scanning electron microscopy (SEM) showed morphological pattern regardless of the complexing agent used, showing an alternative method.Sociedade Brasileira de Química2017-11-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001102254Journal of the Brazilian Chemical Society v.28 n.11 2017reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.21577/0103-5053.20170077info:eu-repo/semantics/openAccessFreitas,Bruno G. A.Siqueira Jr.,José M.Costa,Leonardo M. daFerreira,Glaucio B.Resende,Jackson A. L. C.eng2017-10-26T00:00:00Zoai:scielo:S0103-50532017001102254Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2017-10-26T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Synthesis and Characterization of LiCoO2 from Different Precursors by Sol-Gel Method
title Synthesis and Characterization of LiCoO2 from Different Precursors by Sol-Gel Method
spellingShingle Synthesis and Characterization of LiCoO2 from Different Precursors by Sol-Gel Method
Freitas,Bruno G. A.
LiCoO2
sol-gel method
XRD
Rietveld refinement
lithium ion batteries
DFT
title_short Synthesis and Characterization of LiCoO2 from Different Precursors by Sol-Gel Method
title_full Synthesis and Characterization of LiCoO2 from Different Precursors by Sol-Gel Method
title_fullStr Synthesis and Characterization of LiCoO2 from Different Precursors by Sol-Gel Method
title_full_unstemmed Synthesis and Characterization of LiCoO2 from Different Precursors by Sol-Gel Method
title_sort Synthesis and Characterization of LiCoO2 from Different Precursors by Sol-Gel Method
author Freitas,Bruno G. A.
author_facet Freitas,Bruno G. A.
Siqueira Jr.,José M.
Costa,Leonardo M. da
Ferreira,Glaucio B.
Resende,Jackson A. L. C.
author_role author
author2 Siqueira Jr.,José M.
Costa,Leonardo M. da
Ferreira,Glaucio B.
Resende,Jackson A. L. C.
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Freitas,Bruno G. A.
Siqueira Jr.,José M.
Costa,Leonardo M. da
Ferreira,Glaucio B.
Resende,Jackson A. L. C.
dc.subject.por.fl_str_mv LiCoO2
sol-gel method
XRD
Rietveld refinement
lithium ion batteries
DFT
topic LiCoO2
sol-gel method
XRD
Rietveld refinement
lithium ion batteries
DFT
description Lithium cobalt oxide, LiCoO2, widely used as cathode in lithium ion batteries was synthesized and their structural and electronic properties investigated. The crystalline powders were prepared by the sol-gel method with four complexing agents: citric acid, glycine, starch and gelatin. These syntheses were compared with the blank test (without complexing agent). The X-ray diffraction and vibrational spectroscopy allowed the identification of the rhombohedral phase LiCoO2 (R3m) as the only or principal crystalline component in all samples. A small fraction of a second phase of cubic spinel Co3O4 was observed in the samples of starch, gelatin and the blank test. The Rietveld refinements showed small structural variations, indicating reduced influence of the complexing agents on the synthesis. The theoretical HOMO-LUMO (highest occupied molecular orbital-lowest unoccupied molecular orbital) gap values are in agreement to those estimated by diffuse reflectance spectroscopy (DRS). The scanning electron microscopy (SEM) showed morphological pattern regardless of the complexing agent used, showing an alternative method.
publishDate 2017
dc.date.none.fl_str_mv 2017-11-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
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dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001102254
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001102254
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.21577/0103-5053.20170077
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
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dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Journal of the Brazilian Chemical Society v.28 n.11 2017
reponame:Journal of the Brazilian Chemical Society (Online)
instname:Sociedade Brasileira de Química (SBQ)
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instname_str Sociedade Brasileira de Química (SBQ)
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reponame_str Journal of the Brazilian Chemical Society (Online)
collection Journal of the Brazilian Chemical Society (Online)
repository.name.fl_str_mv Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)
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