A theoretical–experimental study of KSr2Nb(3-x)TaxO10 (x = 0,1,2) systems as photocatalysts

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.contributorFederal University of Paraíba-
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorFederal University of Rio Grande do Norte-
Autor(es): dc.creatorMedeiros, Rayssa B.-
Autor(es): dc.creatorSilva, Jeronimo F.-
Autor(es): dc.creatorMenezes de Oliveira, Andre L.-
Autor(es): dc.creatorSambrano, Julio R.-
Autor(es): dc.creatorAlbuquerque, Anderson R.-
Autor(es): dc.creatorMaia, Ary S.-
Data de aceite: dc.date.accessioned2025-08-21T22:10:05Z-
Data de disponibilização: dc.date.available2025-08-21T22:10:05Z-
Data de envio: dc.date.issued2025-04-29-
Data de envio: dc.date.issued2023-12-14-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.matlet.2023.135254-
Fonte completa do material: dc.identifierhttps://hdl.handle.net/11449/306604-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/306604-
Descrição: dc.descriptionUnderstanding the influence of structural changes arising from electronic characteristics is a significant challenge in novel material development. The Nb(V) and Ta(V) cations are pertinent due to their similar ionic radii across various coordinations. Layered perovskites (KSr2Nb(3-x)TaxO10, where x = 0,1, and 2) were synthesized using the solid-state method. These compounds were characterized employing experimental techniques and subjected to photocatalytic testing in a model reaction. Density Functional Theory simulations were conducted, confirming experimental data accuracy and prediction reliability. Evaluation of intra and inter-octahedral distortion and charge carrier effective masses were correlated with experimental outcomes. Remarkably, substituting Nb with Ta increased photocatalytic activity, suggesting a promising avenue for tailoring material properties.-
Descrição: dc.descriptionNPE-LACOM Federal University of Paraíba, Cidade Universitária, PB-
Descrição: dc.descriptionModeling and Molecular Simulation Group São Paulo State University, SP-
Descrição: dc.descriptionInstitute of Chemistry Federal University of Rio Grande do Norte, RN-
Descrição: dc.descriptionModeling and Molecular Simulation Group São Paulo State University, SP-
Idioma: dc.languageen-
Relação: dc.relationMaterials Letters-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectDFT-
Palavras-chave: dc.subjectEffective mass of charge carriers-
Palavras-chave: dc.subjectLayered perovskites-
Palavras-chave: dc.subjectOctahedrons distortion-
Palavras-chave: dc.subjectPhotocatalysis-
Título: dc.titleA theoretical–experimental study of KSr2Nb(3-x)TaxO10 (x = 0,1,2) systems as photocatalysts-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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