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http://hdl.handle.net/2445/186027
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DC Field | Value | Language |
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dc.contributor.author | Alcón Rovira, Isaac | - |
dc.contributor.author | Papior, Nick | - |
dc.contributor.author | Calogero, Gaetano | - |
dc.contributor.author | Viñes Solana, Francesc | - |
dc.contributor.author | Gamallo Belmonte, Pablo | - |
dc.contributor.author | Brandbyge, Mads | - |
dc.date.accessioned | 2022-05-26T16:27:04Z | - |
dc.date.available | 2022-11-11T06:10:31Z | - |
dc.date.issued | 2021-11-11 | - |
dc.identifier.issn | 1948-7185 | - |
dc.identifier.uri | http://hdl.handle.net/2445/186027 | - |
dc.description.abstract | The discovery of graphene has catalyzed the search for other 2D carbon allotropes, such as graphynes, graphdiynes, and 2D π-conjugated polymers, which have been theoretically predicted or experimentally synthesized during the past decade. These materials exhibit a conductive nature bound to their π-conjugated sp2 electronic system. Some cases include sp-hybridized moieties in their nanostructure, such as acetylenes in graphynes; however, these act merely as electronic couplers between the conducting π-orbitals of sp2 centers. Herein, via first-principles calculations and quantum transport simulations, we demonstrate the existence of an acetylene-meditated transport mechanism entirely hosted by sp-hybridized orbitals. For that we propose a series of nanostructured 2D materials featuring linear arrangements of closely packed acetylene units which function as sp-nanowires. Because of the very distinct nature of this unique transport mechanism, it appears to be highly complementary with π-conjugation, thus potentially becoming a key tool for future carbon nanoelectronics. | - |
dc.format.extent | 8 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | American Chemical Society | - |
dc.relation.isformatof | Versió postprint del document publicat a: https://doi.org/10.1021/acs.jpclett.1c03166 | - |
dc.relation.ispartof | Journal of Physical Chemistry Letters, 2021, vol. 12, num. 45, p. 11220-11227 | - |
dc.relation.uri | https://doi.org/10.1021/acs.jpclett.1c03166 | - |
dc.rights | (c) American Chemical Society , 2021 | - |
dc.source | Articles publicats en revistes (Ciència dels Materials i Química Física) | - |
dc.subject.classification | Hidrocarburs | - |
dc.subject.classification | Materials nanoestructurats | - |
dc.subject.classification | Grafè | - |
dc.subject.other | Hydrocarbons | - |
dc.subject.other | Nanostructured materials | - |
dc.subject.other | Graphene | - |
dc.title | Acetylene-Mediated Electron Transport in Nanostructured Graphene and Hexagonal Boron Nitride | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.identifier.idgrec | 721044 | - |
dc.date.updated | 2022-05-26T16:27:04Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) Articles publicats en revistes (Institut de Nanociència i Nanotecnologia (IN2UB)) |
Files in This Item:
File | Description | Size | Format | |
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721044.pdf | 3.44 MB | Adobe PDF | View/Open |
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