TY  - JOUR
AU  - Lennartz, C.
AU  - Atodiresei, N.
AU  - Müller-Meskamp, L.
AU  - Karthäuser, S.
AU  - Waser, R.
AU  - Blügel, S.
TI  - Cu-adatom-mediated bonding in close-packed benzoate/Cu (110)-Systems
JO  - Langmuir
VL  - 25
SN  - 0743-7463
CY  - Washington, DC
PB  - ACS Publ.
M1  - PreJuSER-3299
SP  - 856 - 864
PY  - 2009
N1  - 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).
AB  - 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.
KW  - Benzoates: chemistry
KW  - Computer Simulation
KW  - Copper: chemistry
KW  - Microscopy, Scanning Tunneling
KW  - Models, Chemical
KW  - Particle Size
KW  - Surface Properties
KW  - Benzoates (NLM Chemicals)
KW  - Copper (NLM Chemicals)
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
C6  - pmid:19177646
UR  - <Go to ISI:>//WOS:000262431100032
DO  - DOI:10.1021/la801822e
UR  - https://juser.fz-juelich.de/record/3299
ER  -