Gold diggers: Altered reconstruction of the gold surface by physisorbed aromatic oligomers

Laura Katharina Scarbath-Evers, Milica Todorović, Dorothea Golze, René Hammer, Wolf Widdra, Daniel Sebastiani, Patrick Rinke

Tutkimustuotos: LehtiartikkeliArticleScientificvertaisarvioitu

4 Sitaatiot (Scopus)
209 Lataukset (Pure)

Abstrakti

We present electronic structure theory calculations and scanning tunneling microscopy experiments for the adsorption of α-sexithiophene on the 100 surface of gold. Our density-functional theory calculations show that α-sexithiophene prefers to adjust an energetically unfavorable adsorption site by modifying the gold surface over seeking out more favorable adsorption sites. Molecular adsorption results in a complex charge transfer pattern, with more charge transfer in more stable sites. Our results challenge the current paradigm that weakly interacting (e.g., physisorbed) molecules perceive metal surfaces as rigid templates with preordained adsorption sites.

AlkuperäiskieliEnglanti
Artikkeli011601
Sivut1-6
JulkaisuPhysical Review Materials
Vuosikerta3
Numero1
DOI - pysyväislinkit
TilaJulkaistu - 17 tammik. 2019
OKM-julkaisutyyppiA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

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