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Understanding copper/corrosion inhibitor interaction at the molecular scale : BTAH on clean and oxidised cu surfaces
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Turano, Marco (2022) Understanding copper/corrosion inhibitor interaction at the molecular scale : BTAH on clean and oxidised cu surfaces. PhD thesis, University of Warwick.
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Official URL: http://webcat.warwick.ac.uk/record=b3884244~S15
Abstract
Benzotriazole (BTAH) is a well-known effective corrosion inhibitor for copper that has been used in industry for a very long time. However, despite its wide use, there is an extreme lack of fundamental knowledge about the mechanism of its action. For this reason, the work in this thesis starts by investigating simplified model systems where BTAH is deposited onto copper substrates under extremely idealised conditions.
In the first and second presented papers, the adsorption of Benzotriazole (BTAH) onto a clean Cu(110) and Cu(100) surfaces has been investigated by a combination of scanning tunnelling microscopy (STM), X-ray photoelectron spectroscopy (XPS), high resolution electron energy loss spectroscopy (HREELS) and density functional theory (DFT) 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 (BTA) molecules in an upright configuration by increasing the BTAH exposure. All structures are characterised by a strong molecule-substrate interaction and the high coverage phases are dominated by the formation of metal–organic Cu(BTA)x complexes between copper atoms and BTA species.
In daily-life applications BTAH will be in contact with an oxidised copper surface. For this reason, the third presented paper elucidates the interaction occurring between BTAH on pre-oxidised Cu surfaces under vacuum. Both STM and XPS analysis give us a good indication that BTA removes (Cu)yO rows via coordination with Cu adatoms and forms Cu(BTA)x complexes. Preliminary DFT calculation shows that the formation of metal-organic Cu(BTA)x complexes is more energetically favourable than the Cu oxide. These findings represent a further and deeper step in the molecular-scale understanding of the efficiency of BTAH as a prototypical corrosion inhibitor for copper.
Item Type: | Thesis (PhD) | ||||
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Subjects: | Q Science > QD Chemistry | ||||
Library of Congress Subject Headings (LCSH): | Copper -- Corrosion -- Research, Copper Surfaces, Chemical inhibitors | ||||
Official Date: | August 2022 | ||||
Dates: |
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Institution: | University of Warwick | ||||
Theses Department: | Department of Chemistry | ||||
Thesis Type: | PhD | ||||
Publication Status: | Unpublished | ||||
Supervisor(s)/Advisor: | Costantini, Giovanni | ||||
Sponsors: | Lubrizol Corporation ; Engineering and Physical Sciences Research Council | ||||
Extent: | ix, 108 pages : illustrations, charts | ||||
Language: | eng |
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