Probing the Site-Selective Doping in SrSnO3:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT Simulations
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/10.1021/acs.inorgchem.0c00664 http://hdl.handle.net/11449/197343 |
Resumo: | The impact of Eu3+ doping at the Sr2+ and Sn4+ sites in SrSnO3 on its structural and electronic properties was studied and correlated with the photocatalytic efficiency. The compounds were synthesized using a modified Pechini method. Refinement of the synchrotron X-ray diffraction (S-XRD) data showed that the samples had an orthorhombic Pbnm symmetry. The incorporation of Eu into the lattice led to increased short- and long-range disorder, inducing additional distortion in the SnO6. XANES measurements revealed that mixed Eu valences (Eu3+ and Eu2+) were present in Eu-doped samples, and DFT calculations confirmed the presence of these ions at Sr2+/Sr4+ sites in the SrSnO3, resulting in changes in the electronic behavior. The catalytic performance toward Remazol yellow dye photodegradation and the catalysts' surface properties were also evaluated. The catalytic efficiency followed the order of Sr(Sn0.99Eu0.01)SnO3 > (Sr0.99Eu0.01)SnO3 > SrSnO3. The order was clearly related to selected-site doping that changed the degree of the inter- and intraoctahedral distortion and the introduction of different Eu midgap states, which apparently favor charge separation upon photoexcitation during photocatalysis. The results shown here are of great importance to the functionalization of SrSnO3 and other perovskite materials by lanthanoid ions, especially Eu3+, for effective applications as photocatalysts. |
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Probing the Site-Selective Doping in SrSnO3:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT SimulationsThe impact of Eu3+ doping at the Sr2+ and Sn4+ sites in SrSnO3 on its structural and electronic properties was studied and correlated with the photocatalytic efficiency. The compounds were synthesized using a modified Pechini method. Refinement of the synchrotron X-ray diffraction (S-XRD) data showed that the samples had an orthorhombic Pbnm symmetry. The incorporation of Eu into the lattice led to increased short- and long-range disorder, inducing additional distortion in the SnO6. XANES measurements revealed that mixed Eu valences (Eu3+ and Eu2+) were present in Eu-doped samples, and DFT calculations confirmed the presence of these ions at Sr2+/Sr4+ sites in the SrSnO3, resulting in changes in the electronic behavior. The catalytic performance toward Remazol yellow dye photodegradation and the catalysts' surface properties were also evaluated. The catalytic efficiency followed the order of Sr(Sn0.99Eu0.01)SnO3 > (Sr0.99Eu0.01)SnO3 > SrSnO3. The order was clearly related to selected-site doping that changed the degree of the inter- and intraoctahedral distortion and the introduction of different Eu midgap states, which apparently favor charge separation upon photoexcitation during photocatalysis. The results shown here are of great importance to the functionalization of SrSnO3 and other perovskite materials by lanthanoid ions, especially Eu3+, for effective applications as photocatalysts.Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)CT-INFRA/FINEP/MCTICCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)UFPBUniversity of SydneyAustralian SynchrotronAustralian Research CouncilUniv Fed Paraiba, Dept Quim, NPE LACOM, BR-58051085 Joao Pessoa, Paraiba, BrazilUniv Sydney, Sch Chem, Sydney, NSW 2006, AustraliaUniv Torino, Dipartimento Chim, I-10125 Turin, ItalyUniv Fed Rio Grande do Norte, Inst Quim, BR-59078970 Natal, RN, BrazilUniv Estadual Paulista, Grp Simulacao & Modelagem Mol, BR-17033360 Bauru, SP, BrazilUniv Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083859 Campinas, SP, BrazilUniv Sao Paulo, Inst Fis, BR-13563120 Sao Carlos, SP, BrazilUniv Estadual Paulista, INCTMN, LIEC, BR-14800060 Araraquara, SP, BrazilUniv Estadual Paulista, Grp Simulacao & Modelagem Mol, BR-17033360 Bauru, SP, BrazilUniv Estadual Paulista, INCTMN, LIEC, BR-14800060 Araraquara, SP, BrazilCAPES: 001CNPq: 232680/2014-0Australian Synchrotron: AS153/PD/10002Australian Synchrotron: AS153/SXR/10026CAPES: 88882.317938/201901CNPq: 420062/2016-5Amer Chemical SocUniv Fed ParaibaUniv SydneyUniv TorinoUniv Fed Rio Grande do NorteUniversidade Estadual Paulista (Unesp)Universidade Estadual de Campinas (UNICAMP)Universidade de São Paulo (USP)Chantelle, LaisOliveira, Andre L. Menezes deKennedy, Brendan J.Maul, JeffersonSilva, Marcia R. S. daDuarte, Thiago M.Albuquerque, Anderson R.Sambrano, Julio R. [UNESP]Landers, RichardSiu-Li, MaximoLongo, Elson [UNESP]Santos, Ieda M. G. dos2020-12-10T20:14:04Z2020-12-10T20:14:04Z2020-06-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article7666-7680http://dx.doi.org/10.1021/acs.inorgchem.0c00664Inorganic Chemistry. Washington: Amer Chemical Soc, v. 59, n. 11, p. 7666-7680, 2020.0020-1669http://hdl.handle.net/11449/19734310.1021/acs.inorgchem.0c00664WOS:000538336400030Web of Sciencereponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengInorganic Chemistryinfo:eu-repo/semantics/openAccess2021-10-23T12:39:39Zoai:repositorio.unesp.br:11449/197343Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T18:16:08.615361Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Probing the Site-Selective Doping in SrSnO3:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT Simulations |
title |
Probing the Site-Selective Doping in SrSnO3:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT Simulations |
spellingShingle |
Probing the Site-Selective Doping in SrSnO3:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT Simulations Chantelle, Lais |
title_short |
Probing the Site-Selective Doping in SrSnO3:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT Simulations |
title_full |
Probing the Site-Selective Doping in SrSnO3:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT Simulations |
title_fullStr |
Probing the Site-Selective Doping in SrSnO3:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT Simulations |
title_full_unstemmed |
Probing the Site-Selective Doping in SrSnO3:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT Simulations |
title_sort |
Probing the Site-Selective Doping in SrSnO3:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT Simulations |
author |
Chantelle, Lais |
author_facet |
Chantelle, Lais Oliveira, Andre L. Menezes de Kennedy, Brendan J. Maul, Jefferson Silva, Marcia R. S. da Duarte, Thiago M. Albuquerque, Anderson R. Sambrano, Julio R. [UNESP] Landers, Richard Siu-Li, Maximo Longo, Elson [UNESP] Santos, Ieda M. G. dos |
author_role |
author |
author2 |
Oliveira, Andre L. Menezes de Kennedy, Brendan J. Maul, Jefferson Silva, Marcia R. S. da Duarte, Thiago M. Albuquerque, Anderson R. Sambrano, Julio R. [UNESP] Landers, Richard Siu-Li, Maximo Longo, Elson [UNESP] Santos, Ieda M. G. dos |
author2_role |
author author author author author author author author author author author |
dc.contributor.none.fl_str_mv |
Univ Fed Paraiba Univ Sydney Univ Torino Univ Fed Rio Grande do Norte Universidade Estadual Paulista (Unesp) Universidade Estadual de Campinas (UNICAMP) Universidade de São Paulo (USP) |
dc.contributor.author.fl_str_mv |
Chantelle, Lais Oliveira, Andre L. Menezes de Kennedy, Brendan J. Maul, Jefferson Silva, Marcia R. S. da Duarte, Thiago M. Albuquerque, Anderson R. Sambrano, Julio R. [UNESP] Landers, Richard Siu-Li, Maximo Longo, Elson [UNESP] Santos, Ieda M. G. dos |
description |
The impact of Eu3+ doping at the Sr2+ and Sn4+ sites in SrSnO3 on its structural and electronic properties was studied and correlated with the photocatalytic efficiency. The compounds were synthesized using a modified Pechini method. Refinement of the synchrotron X-ray diffraction (S-XRD) data showed that the samples had an orthorhombic Pbnm symmetry. The incorporation of Eu into the lattice led to increased short- and long-range disorder, inducing additional distortion in the SnO6. XANES measurements revealed that mixed Eu valences (Eu3+ and Eu2+) were present in Eu-doped samples, and DFT calculations confirmed the presence of these ions at Sr2+/Sr4+ sites in the SrSnO3, resulting in changes in the electronic behavior. The catalytic performance toward Remazol yellow dye photodegradation and the catalysts' surface properties were also evaluated. The catalytic efficiency followed the order of Sr(Sn0.99Eu0.01)SnO3 > (Sr0.99Eu0.01)SnO3 > SrSnO3. The order was clearly related to selected-site doping that changed the degree of the inter- and intraoctahedral distortion and the introduction of different Eu midgap states, which apparently favor charge separation upon photoexcitation during photocatalysis. The results shown here are of great importance to the functionalization of SrSnO3 and other perovskite materials by lanthanoid ions, especially Eu3+, for effective applications as photocatalysts. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020-12-10T20:14:04Z 2020-12-10T20:14:04Z 2020-06-01 |
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/10.1021/acs.inorgchem.0c00664 Inorganic Chemistry. Washington: Amer Chemical Soc, v. 59, n. 11, p. 7666-7680, 2020. 0020-1669 http://hdl.handle.net/11449/197343 10.1021/acs.inorgchem.0c00664 WOS:000538336400030 |
url |
http://dx.doi.org/10.1021/acs.inorgchem.0c00664 http://hdl.handle.net/11449/197343 |
identifier_str_mv |
Inorganic Chemistry. Washington: Amer Chemical Soc, v. 59, n. 11, p. 7666-7680, 2020. 0020-1669 10.1021/acs.inorgchem.0c00664 WOS:000538336400030 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Inorganic Chemistry |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
7666-7680 |
dc.publisher.none.fl_str_mv |
Amer Chemical Soc |
publisher.none.fl_str_mv |
Amer Chemical Soc |
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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1808128915017826304 |