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X-ray Spectroscopy ...
X-ray Spectroscopy Investigations of TPA/Au(111): Charge Redistribution via Core Exitation?
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- Zhang, Teng, 1988- (author)
- Uppsala universitet,Molekyl- och kondenserade materiens fysik
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- Brumboiu, Iulia E., 1987- (author)
- Royal Institute of Technology (KTH), Department of Theoretical Chemistry and Biology
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- Lanzilotto, Valeria (author)
- Uppsala universitet,Molekyl- och kondenserade materiens fysik
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- Grazioli, Cesare (author)
- ISM-CNR, Trieste LD2 Unit, Italy
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- Guarnaccio, Ambra (author)
- ISM-CNR, Tito Scalo (Pz), Italy
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- Johansson, Fredrik (author)
- Uppsala universitet,Molekyl- och kondenserade materiens fysik
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- Ševčíková, Klára (author)
- Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University in Prague, Czech Republic
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- Coreno, Marcello (author)
- ISM-CNR, Trieste LD2 Unit, Italy
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- de Simone, Monica (author)
- IOM-CNR, Laboratorio TASC, Sincrotrone Trieste, Basovizza, Trieste, Italy
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- Santagata, Antonio (author)
- ISM-CNR, Tito Scalo (Pz), Italy
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- Brena, Barbara (author)
- Uppsala universitet,Materialteori,Nanoteknologi och funktionella material,Teoretisk fysik,Materialfysik
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- Puglia, Carla (author)
- Uppsala universitet,Molekyl- och kondenserade materiens fysik
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(creator_code:org_t)
- English.
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Abstract
Subject headings
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- Triphenylamine (TPA) is a well-known electron donor molecule largely used in photovoltaics. In this article we analyze the electronic structure modifications due to the adsorption of the molecules at a monolayer coverage on a Au(111) surface. Only a weak interaction was observed between the TPA and the gold during the adsorption process, being impossible to get more than 1ML coverage at room temperature. The characterizations have been performed by core and valence Photoelectron Spectroscopy (PES) and Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy. The results were compared with our previous investigations on free TPA, and theoretical models were used to explain the changes of the electronic structure due to the adsorption on the metallic gold surface. The calculation confirms the weak interaction between the adsorbed TPA and the Au(111), with only a slight change of the twisting angle of the TPA phenyl rings. The resulting adsorption geometry can be used to explain the broadening of the C 1s PES line with respect to the gas-phase results and the expected absence of angle dependence in the C K-edge NEXAFS. However, a significant modification was observed in the N K-edge NEXAFS spectra of TPA/Au(111), showing a new pre-edge feature due to transitions involving out-of-plane orbitals. This pre-edge feature is ascribed to the interaction between the molecules and the surface, having a different character and energy position than the pre-edge observed for free TPA. A model, considering a TPA+ cation formed by a charge redistribution process between the adsorbate and the surface valence states seems to give a qualitative explanation of this pre-edge intensity. Since our calculations predict only a weak interaction between the TPA molecules and the gold surface, we propose that such a charge redistribution happens in the core-excited state created by photon absorption.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Publication and Content Type
- vet (subject category)
- ovr (subject category)
To the university's database
- By the author/editor
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Zhang, Teng, 198 ...
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Brumboiu, Iulia ...
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Lanzilotto, Vale ...
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Grazioli, Cesare
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Guarnaccio, Ambr ...
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Johansson, Fredr ...
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show more...
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Ševčíková, Klára
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Coreno, Marcello
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de Simone, Monic ...
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Santagata, Anton ...
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Brena, Barbara
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Puglia, Carla
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show less...
- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
- By the university
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Uppsala University