The starburst π-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-phase 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.
m-MTDATA on Au(111): Spectroscopic Evidence of Molecule-Substrate Interactions / Zhang, T.; Grazioli, C.; Guarnaccio, A.; Brumboiu, I. E.; Lanzilotto, V.; Johansson, F. O. L.; Beranova, K.; Coreno, M.; de Simone, M.; Brena, B.; Puglia, C.. - In: JOURNAL OF PHYSICAL CHEMISTRY. C. - ISSN 1932-7447. - 126:6(2022), pp. 3202-3210. [10.1021/acs.jpcc.1c09574]
m-MTDATA on Au(111): Spectroscopic Evidence of Molecule-Substrate Interactions
Lanzilotto V.;
2022
Abstract
The starburst π-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-phase 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.| File | Dimensione | Formato | |
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