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2021-11-11

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Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/186027

Acetylene-Mediated Electron Transport in Nanostructured Graphene and Hexagonal Boron Nitride

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Recurs relacionat

https://doi.org/10.1021/acs.jpclett.1c03166

Resum

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.

Matèries

Hidrocarburs, Materials nanoestructurats, Grafè

Matèries (anglès)

Hydrocarbons, Nanostructured materials, Graphene

Citació

Col·leccions

Articles publicats en revistes (Ciència dels Materials i Química Física)
Articles publicats en revistes (Institut de Nanociència i Nanotecnologia (IN2UB))

Citació

ALCÓN ROVIRA, Isaac, et al. Acetylene-Mediated Electron Transport in Nanostructured Graphene and Hexagonal Boron Nitride. Journal of Physical Chemistry Letters. 2021. Vol. 12, num. 45, pags. 11220-11227. ISSN 1948-7185. [consulted: 14 of August of 2026]. Available at: https://hdl.handle.net/2445/186027

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