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Title:Oxalic acid adsorption states on the clean Cu(110) surface
Authors:ID Fortuna, Sara (Author)
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Language:English
Work type:Not categorized
Typology:1.01 - Original Scientific Article
Organization:UNG - University of Nova Gorica
Abstract:Carboxylic acids are known to assume a variety of configurations on metallic surfaces. In particular oxalic acid on the Cu(110) surface has been proposed to assume a number of upright configurations. Here we explore with DFT calculations the possible structures that oxalic acid can form on copper 110 at different protonation states, with particular attention at the possibility of forming structures composed of vertically standing molecules. In its fully protonated form it is capable of anchoring itself on the surface thanks to one of its hydrogen-free oxygens. We show the monodeprotonated upright molecule with two oxygens anchoring it on the surface to be the lowest energy conformation of a single oxalic molecules on the Cu(110) surface. We further show that it is possible for this configuration to form dense hexagonally arranged patterns in the unlikely scenario in which adatoms are not involved.
Keywords:oxalic acid, oxalate, cu(110), copper, surface, adsorption, density functional theory, DFT
Year of publishing:2016
Number of pages:41-44
Numbering:653
PID:20.500.12556/RUNG-2695 New window
COBISS.SI-ID:4532219 New window
DOI:10.1016/j.susc.2016.05.007 New window
NUK URN:URN:SI:UNG:REP:LJAXTI4U
Publication date in RUNG:11.10.2016
Views:6002
Downloads:0
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FORTUNA, Sara, 2016, Oxalic acid adsorption states on the clean Cu(110) surface. Surface Science [online]. 2016. Vol. 653, p. 41–44. [Accessed 23 April 2025]. DOI 10.1016/j.susc.2016.05.007. Retrieved from: https://repozitorij.ung.si/IzpisGradiva.php?lang=eng&id=2695
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Record is a part of a journal

Title:Surface Science
Shortened title:Surf. Sci.
Publisher:Elsevier
Year of publishing:2016
ISSN:0039-6028

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