Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Noncontact Layer Stabilization of Azafullerene Radicals: Route toward High-Spin-Density Surfaces
Δημιουργός/Συγγραφέας:	Tanuma, Yuri Kladnik, Gregor Schio, Luca van Midden Mavrič, Marion Anézo, Bastien Zupanič, Erik Bavdek, Gregor Canton-Vitoria, Ruben Floreano, Luca [EL] Ταγματάρχης, Νίκος[EN] Tagmatarchis, Nikos Wegner, Hermann A Morgante, Alberto Ewels, Christopher P Cvetko, Dean Arčon, Denis
Εκδότης:	ACS Publications
Ημερομηνία:	2023-12-12
Γλώσσα:	Αγγλικά
ISSN:	1936-0851 1936-086X
DOI:	10.1021/acsnano.3c08717
Άλλο:	38085812
Περίληψη:	We deposit azafullerene C59N• radicals in a vacuum on the Au(111) surface for layer thicknesses between 0.35 and 2.1 monolayers (ML). The layers are characterized using X-ray photoemission (XPS) and X-ray absorption fine structure (NEXAFS) spectroscopy, low-temperature scanning tunneling microscopy (STM), and by density functional calculations (DFT). The singly unoccupied C59N orbital (SUMO) has been identified in the N 1s NEXAFS/XPS spectra of C59N layers as a spectroscopic fingerprint of the molecular radical state. At low molecular coverages (up to 1 ML), films of monomeric C59N are stabilized with the nonbonded carbon orbital neighboring the nitrogen oriented toward the Au substrate, whereas in-plane intermolecular coupling into diamagnetic (C59N)2 dimers takes over toward the completion of the second layer. By following the C59N• SUMO peak intensity with increasing molecular coverage, we identify an intermediate high-spin-density phase between 1 and 2 ML, where uncoupled C59N• monomers in the second layer with pronounced radical character are formed. We argue that the C59N• radical stabilization of this supramonolayer phase of monomers is achieved by suppressed coupling to the substrate. This results from molecular isolation on top of the passivating azafullerene contact layer, which can be explored for molecular radical state stabilization and positioning on solid substrates.
Τίτλος πηγής δημοσίευσης:	ACS nano
Θεματική Κατηγορία:	[EL] Φυσική και θεωρητική χημεία[EN] Physical and theoretical chemistry [EL] Φασματοσκοπία[EN] Spectroscopy
Λέξεις-Κλειδιά:	azafullerene density functional calculation near edge X-ray absorption fine structure spectroscopy qubit radicals scanning tunnelling microscopy
Ηλεκτρονική διεύθυνση στον εκδότη (link):	https://pubs.acs.org/doi/10.1021/acsnano.3c08717
Εμφανίζεται στις συλλογές:	Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο