Density-dependent reorientation and rehybridization of chemisorbed conjugated molecules for controlling interface electronic structure.
The adsorption of the molecular acceptor hexaazatriphenylene-hexacarbonitrile on Ag(111) was investigated as function of layer density. We find that the orientation of the first molecular layer changes from a face-on to an edge-on conformation depending on layer density, facilitated through specific interactions of the peripheral molecular cyano groups with the metal. This is accompanied by a rehybridization of molecular and metal electronic states, which significantly modifies the interface and surface electronic properties, as rationalized by theoretical modeling.
Bröker
B
B
Institut für Physik, Humboldt-Universität zu Berlin, Newtonstrasse 15, D-12489 Berlin, Germany.
Hofmann
O T
OT
Rangger
G M
GM
Frank
P
P
Blum
R-P
RP
Rieger
R
R
Venema
L
L
Vollmer
A
A
Müllen
K
K
Rabe
J P
JP
Winkler
A
A
Rudolf
P
P
Zojer
E
E
Koch
N
N