Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide

Abstract While an increasing number of two-dimensional (2D) materials, including graphene and silicene, have already been realized, others have only been predicted. An interesting example is the two-dimensional form of silicon carbide (2D-SiC). Here, we present an observation of atomically thin and...

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Autores principales:	Toma Susi, Viera Skákalová, Andreas Mittelberger, Peter Kotrusz, Martin Hulman, Timothy J. Pennycook, Clemens Mangler, Jani Kotakoski, Jannik C. Meyer
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/990480ab4b76433893fac41c7042b320
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spelling	oai:doaj.org-article:990480ab4b76433893fac41c7042b3202021-12-02T12:32:26ZComputational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide10.1038/s41598-017-04683-92045-2322https://doaj.org/article/990480ab4b76433893fac41c7042b3202017-06-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-04683-9https://doaj.org/toc/2045-2322Abstract While an increasing number of two-dimensional (2D) materials, including graphene and silicene, have already been realized, others have only been predicted. An interesting example is the two-dimensional form of silicon carbide (2D-SiC). Here, we present an observation of atomically thin and hexagonally bonded nanosized grains of SiC assembling temporarily in graphene oxide pores during an atomic resolution scanning transmission electron microscopy experiment. Even though these small grains do not fully represent the bulk crystal, simulations indicate that their electronic structure already approaches that of 2D-SiC. This is predicted to be flat, but some doubts have remained regarding the preference of Si for sp 3 hybridization. Exploring a number of corrugated morphologies, we find completely flat 2D-SiC to have the lowest energy. We further compute its phonon dispersion, with a Raman-active transverse optical mode, and estimate the core level binding energies. Finally, we study the chemical reactivity of 2D-SiC, suggesting it is like silicene unstable against molecular absorption or interlayer linking. Nonetheless, it can form stable van der Waals-bonded bilayers with either graphene or hexagonal boron nitride, promising to further enrich the family of two-dimensional materials once bulk synthesis is achieved.Toma SusiViera SkákalováAndreas MittelbergerPeter KotruszMartin HulmanTimothy J. PennycookClemens ManglerJani KotakoskiJannik C. MeyerNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-9 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Toma Susi Viera Skákalová Andreas Mittelberger Peter Kotrusz Martin Hulman Timothy J. Pennycook Clemens Mangler Jani Kotakoski Jannik C. Meyer Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide
description	Abstract While an increasing number of two-dimensional (2D) materials, including graphene and silicene, have already been realized, others have only been predicted. An interesting example is the two-dimensional form of silicon carbide (2D-SiC). Here, we present an observation of atomically thin and hexagonally bonded nanosized grains of SiC assembling temporarily in graphene oxide pores during an atomic resolution scanning transmission electron microscopy experiment. Even though these small grains do not fully represent the bulk crystal, simulations indicate that their electronic structure already approaches that of 2D-SiC. This is predicted to be flat, but some doubts have remained regarding the preference of Si for sp 3 hybridization. Exploring a number of corrugated morphologies, we find completely flat 2D-SiC to have the lowest energy. We further compute its phonon dispersion, with a Raman-active transverse optical mode, and estimate the core level binding energies. Finally, we study the chemical reactivity of 2D-SiC, suggesting it is like silicene unstable against molecular absorption or interlayer linking. Nonetheless, it can form stable van der Waals-bonded bilayers with either graphene or hexagonal boron nitride, promising to further enrich the family of two-dimensional materials once bulk synthesis is achieved.
format	article
author	Toma Susi Viera Skákalová Andreas Mittelberger Peter Kotrusz Martin Hulman Timothy J. Pennycook Clemens Mangler Jani Kotakoski Jannik C. Meyer
author_facet	Toma Susi Viera Skákalová Andreas Mittelberger Peter Kotrusz Martin Hulman Timothy J. Pennycook Clemens Mangler Jani Kotakoski Jannik C. Meyer
author_sort	Toma Susi
title	Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide
title_short	Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide
title_full	Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide
title_fullStr	Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide
title_full_unstemmed	Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide
title_sort	computational insights and the observation of sic nanograin assembly: towards 2d silicon carbide
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/990480ab4b76433893fac41c7042b320
work_keys_str_mv	AT tomasusi computationalinsightsandtheobservationofsicnanograinassemblytowards2dsiliconcarbide AT vieraskakalova computationalinsightsandtheobservationofsicnanograinassemblytowards2dsiliconcarbide AT andreasmittelberger computationalinsightsandtheobservationofsicnanograinassemblytowards2dsiliconcarbide AT peterkotrusz computationalinsightsandtheobservationofsicnanograinassemblytowards2dsiliconcarbide AT martinhulman computationalinsightsandtheobservationofsicnanograinassemblytowards2dsiliconcarbide AT timothyjpennycook computationalinsightsandtheobservationofsicnanograinassemblytowards2dsiliconcarbide AT clemensmangler computationalinsightsandtheobservationofsicnanograinassemblytowards2dsiliconcarbide AT janikotakoski computationalinsightsandtheobservationofsicnanograinassemblytowards2dsiliconcarbide AT jannikcmeyer computationalinsightsandtheobservationofsicnanograinassemblytowards2dsiliconcarbide
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Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide

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