TiO2/graphene and TiO2/graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study

Detalhes bibliográficos
Autor(a) principal: Martins, Pedro M.
Data de Publicação: 2018
Outros Autores: Ferreira, C. G., Silva, A. R., Magalhães, B., Alves, M. M., Pereira, Luciana, Marques, P. A. A. P., Melle-Franco, M., Lanceros-Méndez, S.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: https://hdl.handle.net/1822/53781
Resumo: Supplementary data related to this article can be found at http://dx.doi.org/10.1016/j.compositesb.2018.03.015.
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spelling TiO2/graphene and TiO2/graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental studyScience & TechnologySupplementary data related to this article can be found at http://dx.doi.org/10.1016/j.compositesb.2018.03.015.This work reports a computational study, focused on graphene (G) and graphene oxide (GO) interfaces with titanium dioxide (TiO2), and an experimental assay on the photocatalytic activity of TiO2/G and TiO2/GO nanocomposites in the degradation of two different pollutants: methylene blue and ciprofloxacin. Both carbon nanostructures were compared due to their different chemical structure: GO is a G derivative with oxygen functional groups which should promote a closer chemical interaction with TiO2 nanoparticles. Computational models of the fundamental properties of the composites indicated potentially improved photocatalytic activity compared to TiO2, namely lower band gaps and charge carrier segregation at the interfaces. These fundamental properties match qualitatively experimental results on methylene blue, which was more effectively degraded by TiO2/G and TiO2/GO nanocomposites than by pure TiO2 under UV light. In contrast, the same nanocomposites were found to be less efficient to degrade ciprofloxacin than pure TiO2 under visible and UV light. Therefore, this work showcases the relevance of an efficient matching between the catalyst and the molecular properties and structure of the pollutant.This work was supported by the Portuguese Foundation for Science and Technology (FCT) in the framework of the Strategic Project PESTC/FIS/UI607/2014 and PEST-C/QUI/UIO686/2014 and the CICECO Aveiro Institute of Materials, POCI-01-0145-FEDER-007679 (FCT ref. UID/CTM/50011/2013). Access to computing facilities provided by the Project “Search-ON2: Revitalization of HPC infrastructure of UMinho” (NORTE-07-0162-FEDER-000086) is also acknowledged. P. M. Martins and Luciana Pereira thanks the FCT for grants SFRH/BD/98616/2013 and SFRH/BPD/110235/2015, respectively. MMF for a program Ciência 2008 fellowship. The authors thank financial support from the Basque Government Industry Department under the ELKARTEK Program. P.A.A.P. Marques thanks the grant IF/00917/2013/CP1162/ CT0016. Acknowledges also to FCT under the scope of the strategic funding of UID/BIO/04469/2013 unit and COMPETE 2020 (POCI-010145-FEDER-006684) and BioTecNorte operation (NORTE-01-0145FEDER-000004) funded by the European Regional Development Fund under the scope of Norte2020 - Programa Operacional Regional do Norte.info:eu-repo/semantics/publishedVersionElsevierUniversidade do MinhoMartins, Pedro M.Ferreira, C. G.Silva, A. R.Magalhães, B.Alves, M. M.Pereira, LucianaMarques, P. A. A. P.Melle-Franco, M.Lanceros-Méndez, S.20182018-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/1822/53781engMartins, Pedro M.; Ferreira, C. G.; Silva, A. R.; Magalhães, B.; Alves, M. Madalena; Pereira, Luciana; Marques, P. A. A. P.; Melle-Franco, M.; Lanceros-Méndez, S., TiO2/graphene and TiO2/graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study. Composites Part B-Engineering, 145, 39-46, 20181359-836810.1016/j.compositesb.2018.03.015http://www.journals.elsevier.com/composites-part-b-engineeringinfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-07-21T12:03:56Zoai:repositorium.sdum.uminho.pt:1822/53781Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T18:54:07.662779Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv TiO2/graphene and TiO2/graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study
title TiO2/graphene and TiO2/graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study
spellingShingle TiO2/graphene and TiO2/graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study
Martins, Pedro M.
Science & Technology
title_short TiO2/graphene and TiO2/graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study
title_full TiO2/graphene and TiO2/graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study
title_fullStr TiO2/graphene and TiO2/graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study
title_full_unstemmed TiO2/graphene and TiO2/graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study
title_sort TiO2/graphene and TiO2/graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study
author Martins, Pedro M.
author_facet Martins, Pedro M.
Ferreira, C. G.
Silva, A. R.
Magalhães, B.
Alves, M. M.
Pereira, Luciana
Marques, P. A. A. P.
Melle-Franco, M.
Lanceros-Méndez, S.
author_role author
author2 Ferreira, C. G.
Silva, A. R.
Magalhães, B.
Alves, M. M.
Pereira, Luciana
Marques, P. A. A. P.
Melle-Franco, M.
Lanceros-Méndez, S.
author2_role author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Universidade do Minho
dc.contributor.author.fl_str_mv Martins, Pedro M.
Ferreira, C. G.
Silva, A. R.
Magalhães, B.
Alves, M. M.
Pereira, Luciana
Marques, P. A. A. P.
Melle-Franco, M.
Lanceros-Méndez, S.
dc.subject.por.fl_str_mv Science & Technology
topic Science & Technology
description Supplementary data related to this article can be found at http://dx.doi.org/10.1016/j.compositesb.2018.03.015.
publishDate 2018
dc.date.none.fl_str_mv 2018
2018-01-01T00:00:00Z
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 https://hdl.handle.net/1822/53781
url https://hdl.handle.net/1822/53781
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Martins, Pedro M.; Ferreira, C. G.; Silva, A. R.; Magalhães, B.; Alves, M. Madalena; Pereira, Luciana; Marques, P. A. A. P.; Melle-Franco, M.; Lanceros-Méndez, S., TiO2/graphene and TiO2/graphene oxide nanocomposites for photocatalytic applications: A computer modeling and experimental study. Composites Part B-Engineering, 145, 39-46, 2018
1359-8368
10.1016/j.compositesb.2018.03.015
http://www.journals.elsevier.com/composites-part-b-engineering
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
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dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
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repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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