Synthesis and Characterization of LiCoO2 from Different Precursors by Sol-Gel Method
Autor(a) principal: | |
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Data de Publicação: | 2017 |
Outros Autores: | , , , |
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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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 |
format |
article |
status_str |
publishedVersion |
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 |
eu_rights_str_mv |
openAccess |
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) instacron:SBQ |
instname_str |
Sociedade Brasileira de Química (SBQ) |
instacron_str |
SBQ |
institution |
SBQ |
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) |
repository.mail.fl_str_mv |
||office@jbcs.sbq.org.br |
_version_ |
1750318180038868992 |