Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - The role of surface defects in large organic molecule adsorption
T2 - substrate configuration effects
AU - Waldmann, Thomas
AU - Nenon, Christina
AU - Tonigold, Katrin
AU - Hoster, Harry E.
AU - Gross, Axel
AU - Behm, R. Juergen
PY - 2012/8/14
Y1 - 2012/8/14
N2 - The role of the configuration of metal surface atoms in the interaction between individual large, planar organic molecules and a metal substrate was investigated by low-temperature scanning tunneling microscopy and density functional theory calculations, including a semi-empirical correction scheme to account for dispersion effects. As test case, we used the adsorption of the oligopyridine derivative 2-phenyl-4,6-bis(6-(pyridine-2-yl)-4-(pyridine-4-yl) pyridine-2-yl) pyrimidine (2,4'-BTP) on a stepped Ag(100) surface. Both experiment, via statistical evaluation of the adsorption site and orientation of 2,4'-BTP admolecules, and theory indicate distinct structural effects. The results are compared with the adsorption behavior of pyridine derivatives and benzene on metal surfaces. Consequences on the understanding of the interaction between heteroatoms or functional groups in large organic adsorbates and metal atoms in typical nano-scaled surface defects and hence of the interaction with more realistic metal surfaces are discussed.
AB - The role of the configuration of metal surface atoms in the interaction between individual large, planar organic molecules and a metal substrate was investigated by low-temperature scanning tunneling microscopy and density functional theory calculations, including a semi-empirical correction scheme to account for dispersion effects. As test case, we used the adsorption of the oligopyridine derivative 2-phenyl-4,6-bis(6-(pyridine-2-yl)-4-(pyridine-4-yl) pyridine-2-yl) pyrimidine (2,4'-BTP) on a stepped Ag(100) surface. Both experiment, via statistical evaluation of the adsorption site and orientation of 2,4'-BTP admolecules, and theory indicate distinct structural effects. The results are compared with the adsorption behavior of pyridine derivatives and benzene on metal surfaces. Consequences on the understanding of the interaction between heteroatoms or functional groups in large organic adsorbates and metal atoms in typical nano-scaled surface defects and hence of the interaction with more realistic metal surfaces are discussed.
KW - SCANNING-TUNNELING-MICROSCOPY
KW - AUGMENTED-WAVE METHOD
KW - METAL-SURFACES
KW - PYROLYTIC-GRAPHITE
KW - CU
KW - ASSEMBLIES
KW - NETWORKS
KW - PYRIDINE
KW - AG(100)
KW - CU(100)
U2 - 10.1039/c2cp40800g
DO - 10.1039/c2cp40800g
M3 - Journal article
VL - 14
SP - 10726
EP - 10731
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 30
ER -