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Electronic Structur...
Electronic Structure Study of Free and Adsorbed m-MTDATA
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- Zhang, Teng, 1988- (författare)
- Uppsala universitet,Molekyl- och kondenserade materiens fysik
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- Brumboiu, Iulia E., 1987- (författare)
- Uppsala universitet,Materialteori,Teoretisk fysik
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- Lanzilotto, Valeria (författare)
- Uppsala universitet,Molekyl- och kondenserade materiens fysik
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visa fler...
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- Grazioli, Cesare (författare)
- ISM-CNR, Trieste LD2 Unit, Italy
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- Guarnaccio, Ambra (författare)
- ISM-CNR, Tito Scalo (Pz), Italy
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- Johansson, Fredrik (författare)
- Uppsala universitet,Molekyl- och kondenserade materiens fysik
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- Ševčíková, Klára (författare)
- Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University in Prague, Czech Republic
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- Coreno, Marcello (författare)
- ISM-CNR, Trieste LD2 Unit, Italy
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- de Simone, Monica (författare)
- IOM-CNR, Laboratorio TASC, Sincrotrone Trieste, Basovizza, Trieste, Italy
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- Santagata, Antonio (författare)
- ISM-CNR, Tito Scalo (Pz), Italy
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- Brena, Barbara (författare)
- Uppsala universitet,Materialteori
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- Puglia, Carla (författare)
- Uppsala universitet,Molekyl- och kondenserade materiens fysik
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(creator_code:org_t)
- Engelska.
- Relaterad länk:
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https://urn.kb.se/re...
Abstract
Ämnesord
Stäng
- The starburst p-conjugated molecule based on triphenylamine (TPA) building block, 4,4',4" -Tris(N-3-methylphenyl-N-phenyl-amino)triphenylamine (m-MTDATA), is widely used in optoelectronic devices due to its electron-donating properties. The electronic structure of m-MTDATA was investigated in the gas-phase and when deposited in thin films on a Au(111) surface by means of PhotoElectron Spectroscopy (PES) and Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy. Density Functional Theory (DFT) calculations were compared to the experimental gas-phase results, providing a comprehensive description of the molecular electronic structure. Moreover, the results were compared with previous TPA measurements, shedding light on the electronic structure modification due to the increased molecular complexity. Similar to TPA, but more complex, the binding energy of the C 1s photoelectron line of m-MTDATA results from the balance of two counter-acting effects: (1) the electronegativity of the N atoms and (2) the delocalization of lone-pair electrons of the nitrogen. Compared to TPA, the outermost valence PE spectrum of m-MTDATA shows a 3-peak feature with N 2pz character and a lowering of the binding energy of the HOMO. When adsorbed on Au(111), the changes observed in PES and NEXAFS spectra with respect to the free molecules, can be explained by a significant modification of m-MTDATA molecular and electronic structure, due to the molecule-substrate interaction.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
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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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visa fler...
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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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