Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMO-LUMO Gap
| Autor: | Teng Zhang, Pamela H. W. Svensson, Iulia Emilia Brumboiu, Valeria Lanzilotto, Cesare Grazioli, Ambra Guarnaccio, Fredrik O. L. Johansson, Klára Beranová, Marcello Coreno, Monica de Simone, Luca Floreano, Albano Cossaro, Barbara Brena, Carla Puglia |
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| Přispěvatelé: | Zhang, T., Svensson, P. H. W., Brumboiu, I. E., Lanzilotto, V., Grazioli, C., Guarnaccio, A., Johansson, F. O. L., Beranová, K., Coreno, M., de Simone, M., Floreano, L., Cossaro, A., Brena, B., Puglia, C. |
| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: |
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 |
| Zdroj: | 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 |
| DOI: | 10.1021/acs.jpcc.1c08877 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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