PTCDA adsorption on CaF2 thin films

Autor(en): Rahe, Philipp 
Stichwörter: 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA); ADSORBATES; AG(111); calcium difluoride; decoupling; GROWTH; insulating thin film; Materials Science; Materials Science, Multidisciplinary; MOLECULAR-ORBITALS; Nanoscience & Nanotechnology; Physics; Physics, Applied; scanning tunnelling microscopy; Science & Technology - Other Topics; WIRES
Erscheinungsdatum: 2020
Herausgeber: BEILSTEIN-INSTITUT
Journal: BEILSTEIN JOURNAL OF NANOTECHNOLOGY
Volumen: 11
Startseite: 1615
Seitenende: 1622
Zusammenfassung: 
Thin insulating films are commonly employed for the electronic decoupling of molecules as they enable a preservation of the intrinsic molecular electronic functionality. Here, the molecular properties of 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) adsorbed on insulating CaF2 thin films that were grown on Si(111) surfaces are studied. Scanning tunnelling microscopy is used to compare the properties of PTCDA molecules adsorbed on a partly CaF1-covered Si(111) surface with deposition on thicker CaF2/CaF1/Si(111) films. The identification of mostly single molecules on the CaF1/Si(111) interface layer is explained by the presence of atomic-size defects within this layer. Geometry-optimisation calculations using density functional theory reveal a geometry on CaF2(111) of nearly flat-lying PTCDA molecules with two oxygen atoms displaced towards calcium surface ions. This geometry is in agreement with the experimental observations.
ISSN: 21904286
DOI: 10.3762/bjnano.11.144

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