A new multifunctional two-dimensional monolayer based on silicon carbide

dc.contributor.authorMartins, Nicolas F. [UNESP]
dc.contributor.authorFabris, Guilherme S.L.
dc.contributor.authorAlbuquerque, Anderson R.
dc.contributor.authorSambrano, Julio R. [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)
dc.contributor.institutionFederal University of Rio Grande do Norte
dc.date.accessioned2022-04-28T19:49:34Z
dc.date.available2022-04-28T19:49:34Z
dc.date.issued2021-11-01
dc.description.abstractThe family of two-dimensional materials is already a reality in the application of several technological devices. It is the motivation behind the search for unknown 2D structures using computational simulations, which can reveal the synthesis potential and their properties, thereby assisting experimentalists in targeting their applications. This is the case with the inorganic graphenylene-like silicon carbide (IGP-SiC), which is proposed and theoretically investigated in this paper for the first time. The IGP-SiC has an indirect band gap energy (3.22 eV) and thermal dynamic stability (∼2100 K). Among its many applications, it has the potential to be used as an anode in next-generation batteries, as a gas sensor, and in band gap engineering in electronic devices.en
dc.description.affiliationModeling and Molecular Simulation Group São Paulo State University
dc.description.affiliationDepartment of Materials Engineering Federal University of Rio Grande do Norte
dc.description.affiliationChemistry Institute Federal University of Rio Grande do Norte
dc.description.affiliationUnespModeling and Molecular Simulation Group São Paulo State University
dc.description.sponsorshipUniversidade Federal do Rio Grande do Norte
dc.description.sponsorshipUniversidade Estadual Paulista
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.description.sponsorshipIdFAPESP: 2013/07296-2
dc.description.sponsorshipIdFAPESP: 2019/08928-9
dc.description.sponsorshipIdFAPESP: 2020/10380-9
dc.description.sponsorshipIdCNPq: 420062/2016-5
dc.description.sponsorshipIdCAPES: 88887.467334/2019-00
dc.identifierhttp://dx.doi.org/10.1016/j.flatc.2021.100286
dc.identifier.citationFlatChem, v. 30.
dc.identifier.doi10.1016/j.flatc.2021.100286
dc.identifier.issn2452-2627
dc.identifier.scopus2-s2.0-85122801551
dc.identifier.urihttp://hdl.handle.net/11449/223252
dc.language.isoeng
dc.relation.ispartofFlatChem
dc.sourceScopus
dc.subjectBattery
dc.subjectDFT
dc.subjectGas sensor
dc.subjectInorganic graphenylene
dc.subjectSilicon carbide
dc.titleA new multifunctional two-dimensional monolayer based on silicon carbideen
dc.typeArtigo

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