A new multifunctional two-dimensional monolayer based on silicon carbide
dc.contributor.author | Martins, Nicolas F. [UNESP] | |
dc.contributor.author | Fabris, Guilherme S.L. | |
dc.contributor.author | Albuquerque, Anderson R. | |
dc.contributor.author | Sambrano, Julio R. [UNESP] | |
dc.contributor.institution | Universidade Estadual Paulista (UNESP) | |
dc.contributor.institution | Federal University of Rio Grande do Norte | |
dc.date.accessioned | 2022-04-28T19:49:34Z | |
dc.date.available | 2022-04-28T19:49:34Z | |
dc.date.issued | 2021-11-01 | |
dc.description.abstract | The 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.affiliation | Modeling and Molecular Simulation Group São Paulo State University | |
dc.description.affiliation | Department of Materials Engineering Federal University of Rio Grande do Norte | |
dc.description.affiliation | Chemistry Institute Federal University of Rio Grande do Norte | |
dc.description.affiliationUnesp | Modeling and Molecular Simulation Group São Paulo State University | |
dc.description.sponsorship | Universidade Federal do Rio Grande do Norte | |
dc.description.sponsorship | Universidade Estadual Paulista | |
dc.description.sponsorship | Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) | |
dc.description.sponsorship | Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) | |
dc.description.sponsorship | Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) | |
dc.description.sponsorshipId | FAPESP: 2013/07296-2 | |
dc.description.sponsorshipId | FAPESP: 2019/08928-9 | |
dc.description.sponsorshipId | FAPESP: 2020/10380-9 | |
dc.description.sponsorshipId | CNPq: 420062/2016-5 | |
dc.description.sponsorshipId | CAPES: 88887.467334/2019-00 | |
dc.identifier | http://dx.doi.org/10.1016/j.flatc.2021.100286 | |
dc.identifier.citation | FlatChem, v. 30. | |
dc.identifier.doi | 10.1016/j.flatc.2021.100286 | |
dc.identifier.issn | 2452-2627 | |
dc.identifier.scopus | 2-s2.0-85122801551 | |
dc.identifier.uri | http://hdl.handle.net/11449/223252 | |
dc.language.iso | eng | |
dc.relation.ispartof | FlatChem | |
dc.source | Scopus | |
dc.subject | Battery | |
dc.subject | DFT | |
dc.subject | Gas sensor | |
dc.subject | Inorganic graphenylene | |
dc.subject | Silicon carbide | |
dc.title | A new multifunctional two-dimensional monolayer based on silicon carbide | en |
dc.type | Artigo |