Journal Article

PreJuSER-3299

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Cu-adatom-mediated bonding in close-packed benzoate/Cu (110)-Systems

Lennartz, C.FZJ* ; Atodiresei, N.FZJ* ; Müller-Meskamp, L.FZJ* ; Karthäuser, S.FZJ* ; Waser, R.FZJ* ; Blügel, S.FZJ*

2009
ACS Publ. Washington, DC

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Please use a persistent id in citations: doi:10.1021/la801822e

Abstract: Using UHV-STM investigations and density-functional theory calculations we prove the contribution of Cu-adatoms to the stabilization of a new high-density phase of benzoate molecules on a Cu(110) substrate. We show that two different chemical species, benzoate and benzoate Cu-adatoms molecules, build the new close-packed structure. Although both species bind strongly to the copper surface, we identify the benzoate Cu-adatoms molecules as the more mobile species on the surface due to their reduced dipole moment and their lower binding energy compared to benzoate molecules. Therefore, the self-assembly process is supposed to be mediated by benzoate Cu-adatom species, which is analogous to the gold-thiolate species on Au(111) surfaces.

Keyword(s): Benzoates: chemistry (MeSH) ; Computer Simulation (MeSH) ; Copper: chemistry (MeSH) ; Microscopy, Scanning Tunneling (MeSH) ; Models, Chemical (MeSH) ; Particle Size (MeSH) ; Surface Properties (MeSH) ; Benzoates ; Copper ; J

Note: We like to thank N.V. Richardson for valuable discussion. Further, we thank K. Szot and J. Szade for XPS measurements, C. Thomas and U. Linke for the copper single crystals. This work was supported by the DFG Priority Program "Quantum Transport at the Molecular Scale" SPP1243. The theoretical calculations have been performed on the IBM Regatta and Blue Gene/L supercomputers in Julich Supercomputing Centre (JSC).

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Contributing Institute(s):

1. Elektronische Materialien (IFF-6)
2. Jülich-Aachen Research Alliance - Fundamentals of Future Information Technology (JARA-FIT)
3. Quanten-Theorie der Materialien (IFF-1)
4. Jülich Aachen Research Alliance - High-Performance Computing (JARA-HPC)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2009

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