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dc.contributor.authorOfoegbu, Stanley Udochukwupt_PT
dc.contributor.authorGalvão, Tiago L. P.pt_PT
dc.contributor.authorGomes, José R. B.pt_PT
dc.contributor.authorTedim, Joãopt_PT
dc.contributor.authorNogueira, Helena I. S.pt_PT
dc.contributor.authorFerreira, M. G. S.pt_PT
dc.contributor.authorZheludkevich, M. L.pt_PT
dc.description.abstractTriazoles are well-known organic corrosion inhibitors of copper. 1H-1,2,3-Triazole and 1,2,4-triazole, two very simple molecules with the only difference being the positions of the nitrogen atoms in the triazole ring, were studied in this work as corrosion inhibitors of copper in 50 mM NaCl solution using a set of electrochemical and analytical techniques. The results of electrochemical tests indicate that 1H-1,2,3-triazole exhibited superior inhibitor properties but could not suppress anodic copper dissolution at moderate anodic potentials (4+300 mV SCE), while 1,2,4-triazole, although it exhibited higher anodic currents, suppressed anodic copper dissolution at very anodic potentials. Density functional theory calculations were also performed to interpret the measured data and trends observed in the electrochemical studies. The computational studies considered either the inhibitors isolated in the gaseous phase or adsorbed onto Cu(111) surface models. From the calculations, the mechanisms of the inhibitive effects of both triazoles were established and plausible mechanisms of formation of the protective films on the Cu surface were proposed. The results of this study hold positive implications for research in the areas of catalysis, and copper content control in water purification systems.pt_PT
dc.description.sponsorshipThis work was developed in the scope of the project CICECO – Aveiro Institute of Materials, POCI-01-0145-FEDER-007679 (Ref. FCT UID/CTM/50011/2013), financed by national funds through the FCT/MEC and when applicable co-financed by FEDER under the PT2020 Partnership Agreement. Financed in the framework of project reference PTDC/QEQ-QFI/4719/2014, funded by Project 3599 - Promover a Produção Científica e Desenvolvimento Tecnológico e a Constituição de Redes Temáticas (3599-PPCDT) and FEDER funds through COMPETE 2020, Programa Operacional Competitividade e Internacionalização (POCI). The authors also thank financial support from FCT and COMPETE (PTDC/CTM-MAT/1515/2012 and Programa Investigador FCT). JT thanks FCT for the research grant IF/00347/2013. This work has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreements No 645662 and No 645676. This work has also received funding from the European Union’s Seventh Framework Programme (FP7/2012-2016) under the grant agreement no. 280759.pt_PT
dc.publisherRoyal Society of Chemistrypt_PT
dc.titleCorrosion inhibition of copper in aqueous chloride solution by 1H-1,2,3-triazole and 1,2,4-triazole and their combinations: electrochemical, Raman and theoretical studiespt_PT
degois.publication.titlePhysical Chemistry Chemical Physicspt_PT
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