Theoretical-experimental evaluation of the photocatalytic activity of KCa2Ta3−xNbxO10
| dc.contributor.author | Brito, Arnayra S. | |
| dc.contributor.author | Bouquet, Valerie | |
| dc.contributor.author | Demange, Valerie | |
| dc.contributor.author | Cheviré, François | |
| dc.contributor.author | Guilloux-Viry, Maryline | |
| dc.contributor.author | Marinho, Thiago D. | |
| dc.contributor.author | Souza, Juliana K.D. | |
| dc.contributor.author | Lima, Lais C. | |
| dc.contributor.author | Pinheiro, Nayara A. | |
| dc.contributor.author | Santos, Ieda M.G. | |
| dc.contributor.author | Sambrano, Julio R. [UNESP] | |
| dc.contributor.author | Albuquerque, Anderson R. | |
| dc.contributor.author | Maia, A. S. | |
| dc.contributor.institution | NPE-LACOM – Federal University of Paraíba | |
| dc.contributor.institution | ISCR – UMR 6226 | |
| dc.contributor.institution | Universidade Estadual Paulista (Unesp) | |
| dc.contributor.institution | Federal University of Rio Grande do Norte | |
| dc.date.accessioned | 2019-10-06T15:48:35Z | |
| dc.date.available | 2019-10-06T15:48:35Z | |
| dc.date.issued | 2019-10-15 | |
| dc.description.abstract | KCa2Ta3−xNbxO10 samples were synthesized by solid-state reaction and evaluated on the hydroxylation of terephthalic acid under UVC irradiation. Computational simulations via DFT were carried out in order to study their structural and electronic properties. Theoretical results show good agreement with experimental data, regarding lattice parameters and band-gap energy values and indicated that the photocatalytic performance for hydroxyl radicals production is directly related to the degree of octahedral distortions in these materials. | en |
| dc.description.affiliation | NPE-LACOM – Federal University of Paraíba | |
| dc.description.affiliation | Univ. Rennes CNRS ISCR – UMR 6226, ScanMat – UMS 2001 | |
| dc.description.affiliation | Modeling and Molecular Simulation Group INCTMN-UNESP São Paulo State University | |
| dc.description.affiliation | Chemistry Institute Federal University of Rio Grande do Norte | |
| dc.description.affiliationUnesp | Modeling and Molecular Simulation Group INCTMN-UNESP São Paulo State University | |
| dc.description.sponsorship | Université de Rennes 1 | |
| dc.description.sponsorshipId | Université de Rennes 1: BEX 88881.132329/2016-01 | |
| dc.format.extent | 392-395 | |
| dc.identifier | http://dx.doi.org/10.1016/j.matlet.2019.07.006 | |
| dc.identifier.citation | Materials Letters, v. 253, p. 392-395. | |
| dc.identifier.doi | 10.1016/j.matlet.2019.07.006 | |
| dc.identifier.issn | 1873-4979 | |
| dc.identifier.issn | 0167-577X | |
| dc.identifier.scopus | 2-s2.0-85068437230 | |
| dc.identifier.uri | http://hdl.handle.net/11449/187831 | |
| dc.language.iso | eng | |
| dc.relation.ispartof | Materials Letters | |
| dc.rights.accessRights | Acesso aberto | |
| dc.source | Scopus | |
| dc.subject | DFT | |
| dc.subject | Dion-Jacobson perovskite | |
| dc.subject | Octahedra distortion | |
| dc.subject | Tantaloniobates | |
| dc.title | Theoretical-experimental evaluation of the photocatalytic activity of KCa2Ta3−xNbxO10 | en |
| dc.type | Artigo | |
| dspace.entity.type | Publication | |
| unesp.author.orcid | 0000-0002-3349-3994[2] |