| Download | - View final version: Probing the zero energy shell wave functions of triangular graphene quantum dots with broken sublattice symmetry using a localized impurity (PDF, 1.5 MiB)
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| DOI | Resolve DOI: https://doi.org/10.1016/j.ssc.2025.115899 |
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| Author | Search for: Wania Rodrigues, Alina1ORCID identifier: https://orcid.org/0009-0008-3064-3476; Search for: Miravet, Daniel1ORCID identifier: https://orcid.org/0000-0002-2908-4645; Search for: Lawrence, James2ORCID identifier: https://orcid.org/0000-0001-5503-8661; Search for: Hawrylak, Paweł1 |
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| Affiliation | - University of Ottawa. Department of Physics
- National University of Singapore. Department of Chemistry
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| Funder | Search for: Agency for Science, Technology and Research; Search for: Digital Research Alliance Canada; Search for: National Research Council Canada; Search for: Natural Sciences and Engineering Research Council of Canada |
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| Format | Text, Article |
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| Subject | triangular graphene quantum dots; aza-triangulene; DFT; tight-binding |
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| Abstract | 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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| Publication date | 2025-03-11 |
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| Publisher | Elsevier B.V. |
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| Copyright statement | - © 2025 The Authors. Published by Elsevier Ltd.
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| Licence | |
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| Language | English |
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| Peer reviewed | Yes |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 21f035d4-5dc2-4d2f-9a9d-98b873bd5b51 |
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| Record created | 2026-01-30 |
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| Record modified | 2026-02-13 |
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