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m-MTDATA on Au(111): Spectroscopic Evidence of Molecule-Substrate Interactions

Publication

Abstract

The starburst pi-conjugated molecule based on triphenylamine (TPA) building blocks, 4,4',4 ''-tris(N-3-ethylphenyl-N-phenylamino)triphenylamine (C57H48N4, m-MTDATA), is widely used in optoelectronic devices due to its electron-donating properties. The electronic structure of m-MTDATA adsorbed on an Au(111) surface was investigated by means of photoelectron spectroscopy (PES) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy.

The results were further compared to gas-hase measurements and DFT calculations. Our results clearly indicate a significant molecule-substrate interaction that induces considerable modifications on the electronic structure of the adsorbate compared to the isolated molecule.

The energy level alignment analysis shows that the HOMO-LUMO gap is filled by new interface states.