m-MTDATA on Au(111): Spectroscopic Evidence of Molecule-Substrate InteractionsShow others and affiliations
2022 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 126, no 6, p. 3202-3210Article in journal (Refereed) Published
Abstract [en]
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.
Place, publisher, year, edition, pages
American Chemical Society (ACS) American Chemical Society (ACS), 2022. Vol. 126, no 6, p. 3202-3210
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-470559DOI: 10.1021/acs.jpcc.1c09574ISI: 000766228300029OAI: oai:DiVA.org:uu-470559DiVA, id: diva2:1647771
Funder
Swedish Research Council, VR 2014-6463Swedish Research Council, 2014-6463Swedish Research Council, 2020-064092022-03-282022-03-282024-01-15Bibliographically approved