| Téléchargement | - Voir la version finale : Probing the zero energy shell wave functions of triangular graphene quantum dots with broken sublattice symmetry using a localized impurity (PDF, 1.5 Mio)
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| DOI | Trouver le DOI : https://doi.org/10.1016/j.ssc.2025.115899 |
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| Auteur | Rechercher : Wania Rodrigues, Alina1Identifiant ORCID : https://orcid.org/0009-0008-3064-3476; Rechercher : Miravet, Daniel1Identifiant ORCID : https://orcid.org/0000-0002-2908-4645; Rechercher : Lawrence, James2Identifiant ORCID : https://orcid.org/0000-0001-5503-8661; Rechercher : Hawrylak, Paweł1 |
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| Affiliation | - University of Ottawa. Department of Physics
- National University of Singapore. Department of Chemistry
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| Bailleur de fonds | Rechercher : Agency for Science, Technology and Research; Rechercher : Digital Research Alliance Canada; Rechercher : National Research Council Canada; Rechercher : Natural Sciences and Engineering Research Council of Canada |
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| Format | Texte, Article |
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| Sujet | triangular graphene quantum dots; aza-triangulene; DFT; tight-binding |
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| Résumé | We present here a method of probing the wave functions of a degenerate shell in a triangular graphene quantum dot, [n]triangulene, using a localized substitutional impurity. We demonstrate its applicability to the example of aza-[n]triangulenes. Using the analytical solution for degenerate states of an all-carbon [n]triangulene as a basis for a [n]triangulene containing a nitrogen impurity, we predict the structure of the zero energy shell in the presence of this impurity. We show that the impurity allows probing of the wave functions of a degenerate shell on a carbon site where it is located. We confirm our predictions by a comparison with the tight-binding and ab-initio calculation as well as with experiment. |
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| Date de publication | 2025-03-11 |
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| Maison d’édition | Elsevier B.V. |
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| Déclaration de droit d’auteur | |
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| Licence | |
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| Dans | |
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| Langue | anglais |
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| Publications évaluées par des pairs | Oui |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | 21f035d4-5dc2-4d2f-9a9d-98b873bd5b51 |
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| Enregistrement créé | 2026-01-30 |
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| Enregistrement modifié | 2026-04-17 |
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