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dc.contributor.authorTurano, Marco
dc.contributor.authorWalker, Marc
dc.contributor.authorGrillo, Federico
dc.contributor.authorGattinoni, Chiara
dc.contributor.authorEdmondson, James
dc.contributor.authorAdesida, Omar
dc.contributor.authorHunt, Gregory
dc.contributor.authorKirkman, Paul
dc.contributor.authorRichardson, Neville V.
dc.contributor.authorBaddeley, Christopher J.
dc.contributor.authorMichaelides, Angelos
dc.contributor.authorCostantini, Giovanni
dc.date.accessioned2022-09-07T23:45:48Z
dc.date.available2022-09-07T23:45:48Z
dc.date.issued2021-12-30
dc.identifier.citationTurano , M , Walker , M , Grillo , F , Gattinoni , C , Edmondson , J , Adesida , O , Hunt , G , Kirkman , P , Richardson , N V , Baddeley , C J , Michaelides , A & Costantini , G 2021 , ' Understanding the interaction of organic corrosion inhibitors with copper at the molecular scale : benzotriazole on Cu(110) ' , Applied Surface Science , vol. 570 , 151206 . https://doi.org/10.1016/j.apsusc.2021.151206en
dc.identifier.issn0169-4332
dc.identifier.otherPURE: 275870059
dc.identifier.otherPURE UUID: 4ff0c9d5-c93b-4931-bfa4-cd11cddace50
dc.identifier.otherRIS: urn:74233E8CA96037546C991BF055AE566A
dc.identifier.otherORCID: /0000-0001-9961-1212/work/100172404
dc.identifier.otherORCID: /0000-0001-9750-6494/work/100172461
dc.identifier.otherScopus: 85115018066
dc.identifier.otherWOS: 000710791500006
dc.identifier.urihttp://hdl.handle.net/10023/25971
dc.descriptionM.T. gratefully acknowledges financial support from Lubrizol Limited and, together with J.E., thank the Engineering and Physical Sciences Research Council (EPSRC) grant EP/L015307/1 for the Molecular Analytical Science Centre for Doctoral Training (MAS-CDT). C.G acknowledges the Euler cluster managed by the HPC team at ETH Zurich for computational resources and is grateful for computational support from the UK national high performance computing service, ARCHER, for which access was obtained via the UKCP consortium and funded by EPSRC grant EP/P022561/1.en
dc.description.abstractBenzotriazole (BTAH) has been used for several industrial applications, but most commonly as a corrosion inhibitor for copper, since the 1950s. However, the mechanism of its interaction with copper surfaces at the atomistic scale is still a matter of debate. Here, the adsorption of BTAH onto a clean Cu(110) surface has been investigated by a combination of scanning tunnelling microscopy, X-ray photoelectron spectroscopy, high resolution electron energy loss spectroscopy and density functional theory calculations. Different supramolecular structures have been observed depending on molecular coverage and annealing. In the low coverage regime, flat lying deprotonated species are formed which give way to benzotriazolate molecules in an upright configuration by increasing the BTAH exposure. The ensuing monolayer is self-limiting but, upon annealing above 150 °C, transforms into a highly ordered nano-ridge structure resulting from a significant in-plane and out-of-plane reconstruction of the surface. All structures are characterised by a strong molecule-substrate interaction and the high coverage phases are dominated by the formation of metal-organic complexes between copper adatoms and benzotriazolate species. These findings shed light on the nature and strength of the interaction occurring between BTAH and copper which lies at the basis of the effectiveness of this prototypical corrosion inhibitor.
dc.language.isoeng
dc.relation.ispartofApplied Surface Scienceen
dc.rightsCopyright © 2021 Elsevier B.V. All rights reserved. This work has been made available online in accordance with publisher policies or with permission. Permission for further reuse of this content should be sought from the publisher or the rights holder. This is the author created accepted manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1016/j.apsusc.2021.151206en
dc.subjectCorrosion inhibitorsen
dc.subjectSTMen
dc.subjectXPSen
dc.subjectHREELSen
dc.subjectDFTen
dc.subjectQD Chemistryen
dc.subjectNDASen
dc.subjectACen
dc.subject.lccQDen
dc.titleUnderstanding the interaction of organic corrosion inhibitors with copper at the molecular scale : benzotriazole on Cu(110)en
dc.typeJournal articleen
dc.description.versionPostprinten
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.identifier.doihttps://doi.org/10.1016/j.apsusc.2021.151206
dc.description.statusPeer revieweden
dc.date.embargoedUntil2022-09-08
dc.identifier.urlhttps://www.sciencedirect.com/science/article/pii/S0169433221022613?via%3Dihub#s0105en


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