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

Lanzilotto V.;
2022-01-01

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.
2022
https://pubs.acs.org/doi/10.1021/acs.jpcc.1c09574
File in questo prodotto:
File Dimensione Formato  
acs.jpcc.1c09574.pdf

Accesso chiuso

Licenza: Copyright Editore
Dimensione 3.11 MB
Formato Adobe PDF
3.11 MB Adobe PDF   Visualizza/Apri   Richiedi una copia
acs.jpcc.1c09574-Post_print.pdf

Open Access dal 09/02/2023

Tipologia: Bozza finale post-referaggio (post-print)
Licenza: Digital Rights Management non definito
Dimensione 3.51 MB
Formato Adobe PDF
3.51 MB Adobe PDF Visualizza/Apri
Pubblicazioni consigliate

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11368/3032139
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 4
  • ???jsp.display-item.citation.isi??? 3
social impact