A description of the formation and growth processes of CaTiO(3)mesocrystals: a joint experimental and theoretical approach
Autor(a) principal: | |
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Data de Publicação: | 2020 |
Outros Autores: | , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.1039/d0me00043d http://hdl.handle.net/11449/197188 |
Resumo: | In this paper, we report on a combined experimental and theoretical study conducted in order to rationalize the formation and growth mechanism of CaTiO(3)mesocrystals through the microwave-assisted hydrothermal synthesis over short times. The transformation process in which the initial nanoplates are converted to microcube-like CaTiO(3)is investigated in detail. Field emission scanning electron microscopy, photoluminescence emission analysis and Langevin dynamic simulations were carried out. We determined how the quenching rate induced by microwave irradiation can be used to finely tune the structural characteristics of the final CaTiO(3)nanoparticles, including size, shape and crystallinity, showing that the microcube-like particles appear only within a temperature range of 130-200 degrees C. The theoretical and experimental results allow us to propose a mechanism involving three steps: i) a nucleation process of nanoplates below 10 min, ii) a self-assembly process of nanoplates to form microcube-shaped CaTiO(3)under specific thermodynamic conditions, and finally, iii) the formation of microcube-like shapes as the result of a long assembly process. The present results not only provide a deeper insight into the nucleation and growth processes, but also help to find a relationship between morphology and photoluminescence behavior throughout the microwave-assisted hydrothermal synthesis of target metal oxides. These findings shift the focus of the experimental and theoretical research onto the detailed study of the connectivity of TiO(6)octahedra and CaO(12)cube-octahedra as the constituent building blocks of the CaTiO(3)lattice, paving the way for quantitative predictions of the events involved in the self-assembly processes of CaTiO(3)nanocrystals. |
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A description of the formation and growth processes of CaTiO(3)mesocrystals: a joint experimental and theoretical approachIn this paper, we report on a combined experimental and theoretical study conducted in order to rationalize the formation and growth mechanism of CaTiO(3)mesocrystals through the microwave-assisted hydrothermal synthesis over short times. The transformation process in which the initial nanoplates are converted to microcube-like CaTiO(3)is investigated in detail. Field emission scanning electron microscopy, photoluminescence emission analysis and Langevin dynamic simulations were carried out. We determined how the quenching rate induced by microwave irradiation can be used to finely tune the structural characteristics of the final CaTiO(3)nanoparticles, including size, shape and crystallinity, showing that the microcube-like particles appear only within a temperature range of 130-200 degrees C. The theoretical and experimental results allow us to propose a mechanism involving three steps: i) a nucleation process of nanoplates below 10 min, ii) a self-assembly process of nanoplates to form microcube-shaped CaTiO(3)under specific thermodynamic conditions, and finally, iii) the formation of microcube-like shapes as the result of a long assembly process. The present results not only provide a deeper insight into the nucleation and growth processes, but also help to find a relationship between morphology and photoluminescence behavior throughout the microwave-assisted hydrothermal synthesis of target metal oxides. These findings shift the focus of the experimental and theoretical research onto the detailed study of the connectivity of TiO(6)octahedra and CaO(12)cube-octahedra as the constituent building blocks of the CaTiO(3)lattice, paving the way for quantitative predictions of the events involved in the self-assembly processes of CaTiO(3)nanocrystals.Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)FAPERGSUniversitat Jaume IMinisterio de Ciencia, Innovacion y Universidades (Spain)Univ Fed Pelotas, Inst Fis & Matemat, Dept Fis, POB 354, BR-96010900 Pelotas, RS, BrazilUniv Jaume 1, Dept Quim Fis & Analit, Campus Riu Sec, Castellon de La Plana 12080, SpainUniv Estadual Paulista, Inst Quim, INCTMN Dept Fis Quim, POB 355,R Francisco Degni 55, BR-14801907 Araraquara, SP, BrazilUniv Fed Sao Carlos, INCTMN Inst Chem, Rod Washington Luis,Km 235, BR-13565905 Sao Carlos, SP, BrazilUniv Estadual Paulista, Inst Quim, INCTMN Dept Fis Quim, POB 355,R Francisco Degni 55, BR-14801907 Araraquara, SP, BrazilCAPES: 001FAPERGS: 16/2551-0000525-7FAPERGS: 17/2551-0001Universitat Jaume I: UJI-B2019-30Ministerio de Ciencia, Innovacion y Universidades (Spain): PGC2018-094417-B-I00Royal Soc ChemistryUniv Fed PelotasUniv Jaume 1Universidade Estadual Paulista (Unesp)Universidade Federal de São Carlos (UFSCar)Moreira, Mario L.Bordin, Jose RafaelAndres, JuanVarela, Jose A. [UNESP]Longo, Elson2020-12-10T20:08:55Z2020-12-10T20:08:55Z2020-08-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article1255-1266http://dx.doi.org/10.1039/d0me00043dMolecular Systems Design & Engineering. Cambridge: Royal Soc Chemistry, v. 5, n. 7, p. 1255-1266, 2020.2058-9689http://hdl.handle.net/11449/19718810.1039/d0me00043dWOS:000559892100007Web of Sciencereponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengMolecular Systems Design & Engineeringinfo:eu-repo/semantics/openAccess2021-10-23T12:19:10Zoai:repositorio.unesp.br:11449/197188Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462021-10-23T12:19:10Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
A description of the formation and growth processes of CaTiO(3)mesocrystals: a joint experimental and theoretical approach |
title |
A description of the formation and growth processes of CaTiO(3)mesocrystals: a joint experimental and theoretical approach |
spellingShingle |
A description of the formation and growth processes of CaTiO(3)mesocrystals: a joint experimental and theoretical approach Moreira, Mario L. |
title_short |
A description of the formation and growth processes of CaTiO(3)mesocrystals: a joint experimental and theoretical approach |
title_full |
A description of the formation and growth processes of CaTiO(3)mesocrystals: a joint experimental and theoretical approach |
title_fullStr |
A description of the formation and growth processes of CaTiO(3)mesocrystals: a joint experimental and theoretical approach |
title_full_unstemmed |
A description of the formation and growth processes of CaTiO(3)mesocrystals: a joint experimental and theoretical approach |
title_sort |
A description of the formation and growth processes of CaTiO(3)mesocrystals: a joint experimental and theoretical approach |
author |
Moreira, Mario L. |
author_facet |
Moreira, Mario L. Bordin, Jose Rafael Andres, Juan Varela, Jose A. [UNESP] Longo, Elson |
author_role |
author |
author2 |
Bordin, Jose Rafael Andres, Juan Varela, Jose A. [UNESP] Longo, Elson |
author2_role |
author author author author |
dc.contributor.none.fl_str_mv |
Univ Fed Pelotas Univ Jaume 1 Universidade Estadual Paulista (Unesp) Universidade Federal de São Carlos (UFSCar) |
dc.contributor.author.fl_str_mv |
Moreira, Mario L. Bordin, Jose Rafael Andres, Juan Varela, Jose A. [UNESP] Longo, Elson |
description |
In this paper, we report on a combined experimental and theoretical study conducted in order to rationalize the formation and growth mechanism of CaTiO(3)mesocrystals through the microwave-assisted hydrothermal synthesis over short times. The transformation process in which the initial nanoplates are converted to microcube-like CaTiO(3)is investigated in detail. Field emission scanning electron microscopy, photoluminescence emission analysis and Langevin dynamic simulations were carried out. We determined how the quenching rate induced by microwave irradiation can be used to finely tune the structural characteristics of the final CaTiO(3)nanoparticles, including size, shape and crystallinity, showing that the microcube-like particles appear only within a temperature range of 130-200 degrees C. The theoretical and experimental results allow us to propose a mechanism involving three steps: i) a nucleation process of nanoplates below 10 min, ii) a self-assembly process of nanoplates to form microcube-shaped CaTiO(3)under specific thermodynamic conditions, and finally, iii) the formation of microcube-like shapes as the result of a long assembly process. The present results not only provide a deeper insight into the nucleation and growth processes, but also help to find a relationship between morphology and photoluminescence behavior throughout the microwave-assisted hydrothermal synthesis of target metal oxides. These findings shift the focus of the experimental and theoretical research onto the detailed study of the connectivity of TiO(6)octahedra and CaO(12)cube-octahedra as the constituent building blocks of the CaTiO(3)lattice, paving the way for quantitative predictions of the events involved in the self-assembly processes of CaTiO(3)nanocrystals. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020-12-10T20:08:55Z 2020-12-10T20:08:55Z 2020-08-01 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://dx.doi.org/10.1039/d0me00043d Molecular Systems Design & Engineering. Cambridge: Royal Soc Chemistry, v. 5, n. 7, p. 1255-1266, 2020. 2058-9689 http://hdl.handle.net/11449/197188 10.1039/d0me00043d WOS:000559892100007 |
url |
http://dx.doi.org/10.1039/d0me00043d http://hdl.handle.net/11449/197188 |
identifier_str_mv |
Molecular Systems Design & Engineering. Cambridge: Royal Soc Chemistry, v. 5, n. 7, p. 1255-1266, 2020. 2058-9689 10.1039/d0me00043d WOS:000559892100007 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Molecular Systems Design & Engineering |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
1255-1266 |
dc.publisher.none.fl_str_mv |
Royal Soc Chemistry |
publisher.none.fl_str_mv |
Royal Soc Chemistry |
dc.source.none.fl_str_mv |
Web of Science reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
institution |
UNESP |
reponame_str |
Repositório Institucional da UNESP |
collection |
Repositório Institucional da UNESP |
repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
repository.mail.fl_str_mv |
|
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1792962226782470144 |