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A structural investigation of the interaction of oxalic acid with Cu(110)
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White, T. W., Duncan, David A., Fortuna, S., Wang, Y.-L., Moreton, Ben, Lee, T.-L., Blowey, Phil J., Costantini, Giovanni and Woodruff, D. P. (2018) A structural investigation of the interaction of oxalic acid with Cu(110). Surface Science, 668 . pp. 134-143. doi:10.1016/j.susc.2017.10.025
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Official URL: http://dx.doi.org/10.1016/j.susc.2017.10.025
Abstract
The interaction of oxalic acid with the Cu(110) surface has been investigated by a combination of scanning tunnelling microscopy (STM), low energy electron diffraction (LEED), soft X-ray photoelectron spectroscopy (SXPS), near-edge X-ray absorption fine structure (NEXAFS) and scanned-energy mode photoelectron diffraction (PhD), and density functional theory (DFT). O 1s SXPS and O K-edge NEXAFS show that at high coverages a singly deprotonated monooxalate is formed with its molecular plane perpendicular to the surface and lying in the [11¯0] azimuth, while at low coverage a doubly-deprotonated dioxalate is formed with its molecular plane parallel to the surface. STM, LEED and SXPS show the dioxalate to form a (3 × 2) ordered phase with a coverage of 1/6 ML. O 1s PhD modulation spectra for the monooxalate phase are found to be simulated by a geometry in which the carboxylate O atoms occupy near-atop sites on nearest-neighbour surface Cu atoms in [11¯0] rows, with a Cu-O bondlength of 2.00±0.04 Å. STM images of the (3 × 2) phase show some centred molecules attributed to adsorption on second-layer Cu atoms below missing [001] rows of surface Cu atoms, while DFT calculations show adsorption on a (3 × 2) missing row surface (with every third [001] Cu surface row removed) is favoured over adsorption on the unreconstructed surface. O 1s PhD data from dioxalate is best fitted by a structure similar to that found by DFT to have the lowest energy, although there are some significant differences in intramolecular bondlengths.
| Item Type: | Journal Article | |||||||||||||||
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| Subjects: | Q Science > QD Chemistry | |||||||||||||||
| Divisions: | Faculty of Science > Chemistry Faculty of Science > Physics |
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| Library of Congress Subject Headings (LCSH): | Oxalic acid, Carboxylic acids | |||||||||||||||
| Journal or Publication Title: | Surface Science | |||||||||||||||
| Publisher: | Elsevier BV | |||||||||||||||
| ISSN: | 0039-6028 | |||||||||||||||
| Official Date: | February 2018 | |||||||||||||||
| Dates: |
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| Date of first compliant deposit: | 7 November 2017 | |||||||||||||||
| Volume: | 668 | |||||||||||||||
| Page Range: | pp. 134-143 | |||||||||||||||
| DOI: | 10.1016/j.susc.2017.10.025 | |||||||||||||||
| Status: | Peer Reviewed | |||||||||||||||
| Publication Status: | Published | |||||||||||||||
| Access rights to Published version: | Open Access | |||||||||||||||
| RIOXX Funder/Project Grant: |
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