Please use this identifier to cite or link to this item:
https://hdl.handle.net/20.500.14279/24382
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Zacharias, Marios | - |
dc.contributor.author | Kelires, Pantelis C. | - |
dc.date.accessioned | 2022-02-18T12:30:11Z | - |
dc.date.available | 2022-02-18T12:30:11Z | - |
dc.date.issued | 2021-10-14 | - |
dc.identifier.citation | Journal of Physical Chemistry Letters, 2021, vol. 12, no. 40, pp. 9940-9946 | en_US |
dc.identifier.issn | 19487185 | - |
dc.identifier.issn | 19487185 | - |
dc.identifier.uri | https://hdl.handle.net/20.500.14279/24382 | - |
dc.description.abstract | On the basis of first-principles calculations and the special displacement method, we demonstrate the quantum confinement scaling law of the phonon-induced gap renormalization of graphene quantum dots (GQDs). We employ zigzag-edged GQDs with hydrogen passivation and embedded in hexagonal boron nitride. Our calculations for GQDs in the sub-10 nm region reveal strong quantum confinement of the zero-point renormalization ranging from 20 to 250 meV. To obtain these values we introduce a correction to the Allen-Heine theory of temperature-dependent energy levels that arises from the phonon-induced splitting of 2-fold degenerate edge states. This correction amounts to more than 50% of the gap renormalization. We also present momentum-resolved spectral functions of GQDs, which are not reported in previous contributions. Our results lay the foundation to systematically engineer temperature-dependent electronic structures of GQDs for applications in solar cells, electronic transport, and quantum computing devices. | en_US |
dc.format | en_US | |
dc.language.iso | en | en_US |
dc.relation.ispartof | Journal of Physical Chemistry Letters | en_US |
dc.rights | © American Chemical Society | en_US |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.subject | Electron-phonon interactions | en_US |
dc.subject | Graphene | en_US |
dc.subject | Nanocrystals | en_US |
dc.subject | Quantum chemistry | en_US |
dc.subject | Quantum dots | en_US |
dc.title | Quantum Confinement of Electron-Phonon Coupling in Graphene Quantum Dots | en_US |
dc.type | Article | en_US |
dc.collaboration | Cyprus University of Technology | en_US |
dc.subject.category | Nano-Technology | en_US |
dc.journals | Subscription | en_US |
dc.country | Cyprus | en_US |
dc.subject.field | Engineering and Technology | en_US |
dc.publication | Peer Reviewed | en_US |
dc.identifier.doi | 10.1021/acs.jpclett.1c02899 | en_US |
dc.identifier.pmid | 34614351 | - |
dc.identifier.scopus | 2-s2.0-85117797389 | - |
dc.identifier.url | https://api.elsevier.com/content/abstract/scopus_id/85117797389 | - |
dc.relation.issue | 40 | en_US |
dc.relation.volume | 12 | en_US |
cut.common.academicyear | 2020-2021 | en_US |
dc.identifier.spage | 9940 | en_US |
dc.identifier.epage | 9946 | en_US |
item.fulltext | No Fulltext | - |
item.languageiso639-1 | en | - |
item.grantfulltext | none | - |
item.openairecristype | http://purl.org/coar/resource_type/c_6501 | - |
item.cerifentitytype | Publications | - |
item.openairetype | article | - |
crisitem.journal.journalissn | 1948-7185 | - |
crisitem.journal.publisher | American Chemical Society | - |
crisitem.author.dept | Department of Mechanical Engineering and Materials Science and Engineering | - |
crisitem.author.dept | Department of Mechanical Engineering and Materials Science and Engineering | - |
crisitem.author.faculty | Faculty of Engineering and Technology | - |
crisitem.author.faculty | Faculty of Engineering and Technology | - |
crisitem.author.orcid | 0000-0002-7052-5684 | - |
crisitem.author.orcid | 0000-0002-0268-259X | - |
crisitem.author.parentorg | Faculty of Engineering and Technology | - |
crisitem.author.parentorg | Faculty of Engineering and Technology | - |
Appears in Collections: | Άρθρα/Articles |
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