Academic Journal
π-Orbital mediated charge transfer channels in a monolayer Gr-NiPc heterointerface unveiled by soft X-ray electron spectroscopies and DFT calculations
| العنوان: | π-Orbital mediated charge transfer channels in a monolayer Gr-NiPc heterointerface unveiled by soft X-ray electron spectroscopies and DFT calculations |
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| المؤلفون: | Casotto, Andrea, Drera, Giovanni, Perilli, Daniele, Freddi, Sonia, Pagliara, Stefania, Zanotti, Michele, Schio, Luca, Verdini, Alberto, Floreano, Luca, Di Valentin, Cristiana, Sangaletti, Luigi |
| المساهمون: | Casotto, A, Drera, G, Perilli, D, Freddi, S, Pagliara, S, Zanotti, M, Schio, L, Verdini, A, Floreano, L, Di Valentin, C, Sangaletti, L |
| بيانات النشر: | Royal Society of Chemistry GB |
| سنة النشر: | 2022 |
| المجموعة: | Università degli Studi di Milano-Bicocca: BOA (Bicocca Open Archive) |
| مصطلحات موضوعية: | XPS, ResPES, DFT, Phtalocyanine, graphene, charge transfer |
| الوصف: | With the aim to identify charge transfer channels underlying device development and operation, X-Ray Photoelectron Spectroscopy (XPS), Near-Edge X-Ray Absorption Fine Structure (NEXAFS), and Resonant Photoelectron Spectroscopy (ResPES) have been employed to characterize a novel heterointerface obtained by the controlled evaporation of a Nickel Phthalocyanine (NiPc) monolayer on a single layer of Graphene (Gr) on SiC substrate. Indeed, the Gr-NiPc interface could be a promising candidate for different applications in the field of photonics, optoelectronics, and sensing, provided that clear information on the charge transfer mechanisms at the Gr-NiPc interface can be obtained. The analysis of the spectroscopic data has shown the effective functionalization and the horizontally-flat disposition of the NiPc complexes over the Gr layer. With this geometry, the main intermolecular interaction experienced by the NiPc species is the coupling with the Gr substrate, through π-symmetry orbitals, as revealed by the different behaviour of the valence band photoemission at resonance with the N K-edge and Ni L3-edge. These results have been supported by the analysis of density functional theory (DFT) calculations, that allowed for a rationalization of the experimental data, showing that charge transfer at the interface occurs from the doubly degenerate eg LUMO orbital, involving mainly N and C (pyrrole ring) pz states, to the holes in the p-doped graphene layer. |
| نوع الوثيقة: | article in journal/newspaper |
| وصف الملف: | STAMPA |
| اللغة: | English |
| Relation: | info:eu-repo/semantics/altIdentifier/pmid/36039896; info:eu-repo/semantics/altIdentifier/wos/WOS:000847478200001; volume:14; issue:36; firstpage:13166; lastpage:13177; numberofpages:12; journal:NANOSCALE; https://hdl.handle.net/10281/396143; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85138177002 |
| DOI: | 10.1039/d2nr02647c |
| الاتاحة: | https://hdl.handle.net/10281/396143 https://doi.org/10.1039/d2nr02647c |
| رقم الانضمام: | edsbas.1A922375 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1039/d2nr02647c |
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