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Adsorption of tetrathiafulvalene (TTF) on Cu(1 0 0): can π-stacked 1-D aggregates be formed at low temperature?

AuthorsSarasola, Ane; Barja, Sara; Vázquez de Parga, A. L.; Arnau, Andrés CSIC ORCID
Issue Date2014
CitationChemical Physics Letters 612: 45-50 (2014)
AbstractWe present a combined experimental and theoretical study that shows the formation of one-dimensional aggregates of tetrathiafulvalene (TTF) molecules along high symmetry directions of the Cu(1 0 0) metal surface at low temperatures. Our first principles calculations permit to explain the observations. We find an adsorption geometry of the molecules in a tilted configuration that is explained as the result of a delicate balance between intermolecular and molecule-surface attractive forces of comparable strength. The inclusion of van der Waals (vdW) forces in the description is instrumental to arrive at this conclusion.
Identifiersdoi: 10.1016/j.cplett.2014.07.067
issn: 0009-2614
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