Experimental and theoretical study of synthesis and properties of Cu2O/ TiO2 heterojunction for photoelectrochemical purposes

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dc.article.number18834
dc.contributor.authorMatamala-Troncoso, Felipe
dc.contributor.authorSaez-Navarrete, Cesar
dc.contributor.authorMejia-Lopez, Jose
dc.contributor.authorGarcia, Griselda
dc.contributor.authorRebolledo-Oyarce, Jose
dc.contributor.authorNguyen, Cuong Ky
dc.contributor.authorMacFarlane, Douglas R.
dc.contributor.authorIsaacs, Mauricio
dc.date.accessioned2024-09-01T08:00:16Z
dc.date.available2024-09-01T08:00:16Z
dc.date.issued2023
dc.description.abstractThe Cu2O/TiO2 heterojunction is an attractive surface for its optoelectronic properties for developing catalysts, cells, and solar devices. However, the mechanisms involved in synthesizing an electrode using the Cu2O/TiO2 heterojunction can affect the surface properties and the surface/electrolyte interactions. In this work, we studied the formation mechanism of the Cu2O/TiO2 heterojunction by electrochemical deposition (ECD) of Cu2O mol-ecules on TiO2 nanoparticles previously deposited on a fluorine-doped thin oxide coated glass substrate (FTO). The photoelectrochemical properties of the Cu2O/TiO2/FTO electrode were characterized by XRD, FE-SEM, TEM, EDX, UV-vis diffuse reflectance spectroscopy (DRS), Raman spectroscopy, and electrochemical methods. Theoretical methods such as ab-initio density functional theory calculations and molecular dynamics simulations were used to understand the experimental results. The analysis carried out by theoretical methods allowed us to identify the initial steps of the formation mechanism of Cu2O molecules on TiO2 nanoparticles. Theoretical calculations demonstrated that forming a Cu2O nanowire-like network on the TiO2 nanoparticle matrix favors the charge transfer at the electrolyte/semiconductor interface, promoting the behavior of the electrode as a cathode. Finally, the Cu2O/TiO2/FTO electrode synthesized was used to perform the reduction photoelectrocatalyzed of nitrate to ammonia under illumination with a Xe-Hg arc lamp and applying-0.5 V bias potential (vs Ag/AgCl sat.) to evaluate the performance of the electrode as a cathode.
dc.description.funderANID, through the funds FONDECYT Regular
dc.description.funderComision Nacional de Investigacion Cientifica y Tecnologica (ex CONICYT-Chile)
dc.description.funderCONICYT
dc.format.extent12 páginas
dc.fuente.origenWOS
dc.identifier.doi10.1016/j.surfin.2023.102751
dc.identifier.eissn2194-4296
dc.identifier.issn2468-0230
dc.identifier.pubmedidMEDLINE:34098824
dc.identifier.scieloidS0012-73532011000300008
dc.identifier.scopusidSCOPUS_ID:85179364068
dc.identifier.urihttps://doi.org/10.1016/j.surfin.2023.102751
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/87745
dc.identifier.wosidWOS:000991955200001
dc.information.autorucFacultad de Ingeniería; Saez Navarrete, Cesar Antonio; S/I; 104647
dc.issue.numero167
dc.language.isoen
dc.nota.accesoSin adjunto
dc.pagina.final60
dc.pagina.inicio52
dc.revistaSURFACES AND INTERFACES
dc.rightsregistro bibliográfico
dc.subjectHeterojunction
dc.subjectDensity functional theory
dc.subjectMolecular dynamic simulation
dc.subjectPhotoelectrocatalysis
dc.subjectAmmonia
dc.subjectNitrate reduction
dc.subject.ddc170
dc.subject.deweyÉticaes_ES
dc.titleExperimental and theoretical study of synthesis and properties of Cu2O/ TiO2 heterojunction for photoelectrochemical purposes
dc.typeartículo
dc.volumen37
sipa.codpersvinculados104647
sipa.indexWOS
sipa.trazabilidadCarga WOS-SCOPUS;01-09-2024
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