This title appears in the Scientific Report : 2009 

Cu-adatom-mediated bonding in close-packed benzoate/Cu (110)-Systems
Lennartz, C.
Atodiresei, N. / Müller-Meskamp, L. / Karthäuser, S. / Waser, R. / Blügel, S.
Elektronische Materialien; IFF-6
JARA - HPC; JARA-HPC
Quanten-Theorie der Materialien; IFF-1
JARA-FIT; JARA-FIT
Langmuir, 25 (2009) S. 856 - 864
Washington, DC ACS Publ. 2009
856 - 864
19177646
10.1021/la801822e
Journal Article
Grundlagen für zukünftige Informationstechnologien
Langmuir 25
J
Please use the identifier: http://dx.doi.org/10.1021/la801822e in citations.
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.