Properties of NTCDA Thin Films on Ag(110): Scanning Tunneling Microscopy, Photoemission, Near-Edge X-ray Fine Structure, and Density Functional Theory Investigations

It is well proven that the properties of organic/metal interfaces play an utmost role in the performance of organic devices. Here we present a study on structural and electronic properties of high-quality 1,4,5,8-naphthalene tetracarboxylic dianhydride (NTCDA) films grown on an Ag(110) surface. High-resolution scanning tunneling microscopy and low-energy electron diffraction show the presence of two molecular domains. Density functional theory calculations indicate that the most stable location of NTCDA corresponds to anhydride oxygen attached to the Ag atoms along the [110] direction. Photoemission results of the C 1s and O 1s core levels demonstrate a strong interfacial bonding, inducing a charge transfer from the Ag metal to the molecular monolayer. An angular-dependent study of the C K-edge near-edge X-ray fine structure spectra provides detailed information concerning the evolution of the NTCDA orientation with the film thickness.