Repozitorij Univerze v Novi Gorici

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Naslov:Oxalic acid adsorption states on the clean Cu(110) surface
Avtorji:Fortuna, Sara (Avtor)
Datoteke:Gradivo nima datotek. Gradivo je morda fizično dosegljivo v knjižnici fakultete, zalogo lahko preverite v COBISS-u. Povezava se odpre v novem oknu
Jezik:Angleški jezik
Vrsta gradiva:Delo ni kategorizirano (r6)
Tipologija:1.01 - Izvirni znanstveni članek
Organizacija:UNG - Univerza v Novi Gorici
Opis: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.
Ključne besede:oxalic acid, oxalate, cu(110), copper, surface, adsorption, density functional theory, DFT
Leto izida:2016
Št. strani:41-44
Številčenje:653
COBISS_ID:4532219 Povezava se odpre v novem oknu
URN:URN:SI:UNG:REP:LJAXTI4U
DOI:10.1016/j.susc.2016.05.007 Povezava se odpre v novem oknu
Število ogledov:2585
Število prenosov:0
Metapodatki:XML RDF-CHPDL DC-XML DC-RDF
Področja:Gradivo ni uvrščeno v področja.
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Skupna ocena:(0 glasov)
Vaša ocena:Ocenjevanje je dovoljeno samo prijavljenim uporabnikom.

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Gradivo je del revije

Naslov:Surface Science
Skrajšan naslov:Surf. Sci.
Založnik:Elsevier
ISSN:0039-6028
Leto izida:2016

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