: Ultrathin films of a stereoisomeric mixture of benzo[1,2-b:4,5-b']dithiophene derivatives were grown by thermal evaporation in vacuum on Au(111), and they were studied in situ by photoelectron spectroscopy. X-ray photons from a non-monochromatic Mg Kα conventional X-ray source and UV photons from a He I discharge lamp equipped with a linear polarizer were used. He I photoemission results were compared with density functional theory (DFT) calculations: density of states (DOS) and 3D molecular orbital density distribution. Au 4f, C 1s, O 1s, and S 2p core-level components suggest a surface rearrangement as a function of film nominal thickness, with the variation of the molecular orientation, from flat-laying at the initial deposition to tilted toward the surface normal at coverages exceeding 2 nm. Eventually, the DFT results were exploited in assigning of the valence band experimental structures. Moreover, polarization-dependent photoemission confirmed the tilted arrangement of the molecules, starting at 2 nm. A variation of the work function of 1.4 eV with respect to the clean substrate was measured, together with a valence band offset of 1.3 eV between the organic layer and gold.

Growth Dynamics of Ultrathin Films of Benzo[1,2-b:4,5-b']dithiophene Derivatives on Au(111): A Photoelectron Spectroscopy Investigation / Stummo, Angelo; Montecchi, Monica; Parenti, Francesca; Vanossi, Davide; Fontanesi, Claudio; Capelli, Raffaella; Pasquali, Luca. - In: LANGMUIR. - ISSN 0743-7463. - (2023), pp. 1-8. [10.1021/acs.langmuir.3c00572]

Growth Dynamics of Ultrathin Films of Benzo[1,2-b:4,5-b']dithiophene Derivatives on Au(111): A Photoelectron Spectroscopy Investigation

Stummo, Angelo;Montecchi, Monica;Parenti, Francesca;Vanossi, Davide;Fontanesi, Claudio;Capelli, Raffaella;Pasquali, Luca
2023

Abstract

: Ultrathin films of a stereoisomeric mixture of benzo[1,2-b:4,5-b']dithiophene derivatives were grown by thermal evaporation in vacuum on Au(111), and they were studied in situ by photoelectron spectroscopy. X-ray photons from a non-monochromatic Mg Kα conventional X-ray source and UV photons from a He I discharge lamp equipped with a linear polarizer were used. He I photoemission results were compared with density functional theory (DFT) calculations: density of states (DOS) and 3D molecular orbital density distribution. Au 4f, C 1s, O 1s, and S 2p core-level components suggest a surface rearrangement as a function of film nominal thickness, with the variation of the molecular orientation, from flat-laying at the initial deposition to tilted toward the surface normal at coverages exceeding 2 nm. Eventually, the DFT results were exploited in assigning of the valence band experimental structures. Moreover, polarization-dependent photoemission confirmed the tilted arrangement of the molecules, starting at 2 nm. A variation of the work function of 1.4 eV with respect to the clean substrate was measured, together with a valence band offset of 1.3 eV between the organic layer and gold.
2023
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8
Growth Dynamics of Ultrathin Films of Benzo[1,2-b:4,5-b']dithiophene Derivatives on Au(111): A Photoelectron Spectroscopy Investigation / Stummo, Angelo; Montecchi, Monica; Parenti, Francesca; Vanossi, Davide; Fontanesi, Claudio; Capelli, Raffaella; Pasquali, Luca. - In: LANGMUIR. - ISSN 0743-7463. - (2023), pp. 1-8. [10.1021/acs.langmuir.3c00572]
Stummo, Angelo; Montecchi, Monica; Parenti, Francesca; Vanossi, Davide; Fontanesi, Claudio; Capelli, Raffaella; Pasquali, Luca
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1301385
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