Back to Search
Start Over
Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMO-LUMO Gap
- Source :
- Journal of physical chemistry. C 126 (2022): 1635–1643. doi:10.1021/acs.jpcc.1c08877, info:cnr-pdr/source/autori:Zhang T.; Svensson P.H.W.; Brumboiu I.E.; Lanzilotto V.; Grazioli C.; Guarnaccio A.; Johansson F.O.L.; Beranova K.; Coreno M.; de Simone M.; Floreano L.; Cossaro A.; Brena B.; Puglia C./titolo:Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMO-LUMO Gap/doi:10.1021%2Facs.jpcc.1c08877/rivista:Journal of physical chemistry. C/anno:2022/pagina_da:1635/pagina_a:1643/intervallo_pagine:1635–1643/volume:126, The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
- Publication Year :
- 2022
- Publisher :
- American Chemical Society, Washington DC , Stati Uniti d'America, 2022.
-
Abstract
- In this article, we analyze the electronic structure modifications of triphenylamine (TPA), a well-known electron donor molecule widely used in photovoltaics and optoelectronics, upon deposition on Au(111) at a monolayer coverage. A detailed study was carried out by synchrotron radiation-based photoelectron spectroscopy, near-edge X-ray absorption fine structure (NEXAFS) spectroscopy, scanning tunneling microscopy (STM), and ab initio calculations. We detect a new feature in the pre-edge energy region of the N K-edge NEXAFS spectrum that extends over 3 eV, which we assign to transitions involving new electronic states. According to our calculations, upon adsorption, a number of new unoccupied electronic states fill the energy region between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the free TPA molecule and give rise to the new feature in the pre-edge region of the NEXAFS spectrum. This finding highlights the occurrence of a considerable modification of the electronic structure of TPA. The appearance of new states in the HOMO-LUMO gap of TPA when adsorbed on Au(111) has crucial implications for the design of molecular nanoelectronic devices based on similar donor systems.
- Subjects :
- Triphenylamine
Atom and Molecular Physics and Optics
STM
Physical Chemistry
DFT
Article
NEXAFS
Teoretisk kemi
Physical and Theoretical Chemistry
Au(111)
Theoretical Chemistry
Fysikalisk kemi
HOMO-LUMO gap
Molecules
triphenylamine
interface
X-ray absorption near edge spectroscopy
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
electron donor
General Energy
Atom- och molekylfysik och optik
Adsorption
Gold
Subjects
Details
- Language :
- English
- Database :
- OpenAIRE
- Journal :
- Journal of physical chemistry. C 126 (2022): 1635–1643. doi:10.1021/acs.jpcc.1c08877, info:cnr-pdr/source/autori:Zhang T.; Svensson P.H.W.; Brumboiu I.E.; Lanzilotto V.; Grazioli C.; Guarnaccio A.; Johansson F.O.L.; Beranova K.; Coreno M.; de Simone M.; Floreano L.; Cossaro A.; Brena B.; Puglia C./titolo:Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMO-LUMO Gap/doi:10.1021%2Facs.jpcc.1c08877/rivista:Journal of physical chemistry. C/anno:2022/pagina_da:1635/pagina_a:1643/intervallo_pagine:1635–1643/volume:126, The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
- Accession number :
- edsair.doi.dedup.....9418e52bb39b94e59ae287932238fb9f