| Campo DC | Valor | Idioma |
|---|
| dc.contributor.author | Pereira Júnior, Marcelo Lopes | - |
| dc.contributor.author | Araújo, Cícera Maria Viana de | - |
| dc.contributor.author | Sousa, José Moreira de | - |
| dc.contributor.author | Sousa Júnior, Rafael Timóteo de | - |
| dc.contributor.author | Roncaratti Júnior, Luiz Fernando | - |
| dc.contributor.author | Giozza, William Ferreira | - |
| dc.contributor.author | Ribeiro Júnior, Luiz Antônio | - |
| dc.date.accessioned | 2021-06-07T21:11:09Z | - |
| dc.date.available | 2021-06-07T21:11:09Z | - |
| dc.date.issued | 2020-11 | - |
| dc.identifier.citation | PEREIRA JÚNIOR, Marcelo Lopes et al. On the elastic properties and fracture patterns of MoX2 (X = S, Se, Te) membranes: a reactive molecular dynamics study. Condensed Matter, v. 5, n. 4, 73, 2020. DOI: https://doi.org/10.3390/condmat5040073. Disponível em: https://www.mdpi.com/2410-3896/5/4/73. Acesso em: 07 jun. 2021. | pt_BR |
| dc.identifier.uri | https://repositorio.unb.br/handle/10482/41111 | - |
| dc.language.iso | Inglês | pt_BR |
| dc.publisher | MDPI | pt_BR |
| dc.rights | Acesso Aberto | pt_BR |
| dc.title | On the elastic properties and fracture patterns of MoX2 (X = S, Se, Te) membranes : a reactive molecular dynamics study | pt_BR |
| dc.type | Artigo | pt_BR |
| dc.subject.keyword | Dichalcogenetos de metais de transição | pt_BR |
| dc.subject.keyword | TMDs à base de molibdênio | pt_BR |
| dc.subject.keyword | Propriedades elásticas | pt_BR |
| dc.subject.keyword | Fraturas | pt_BR |
| dc.subject.keyword | Dinâmica molecular | pt_BR |
| dc.rights.license | © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). | pt_BR |
| dc.identifier.doi | https://doi.org/10.3390/condmat5040073 | pt_BR |
| dc.description.abstract1 | We carried out fully-atomistic reactive molecular dynamics simulations to study the elastic
properties and fracture patterns of transition metal dichalcogenide (TMD) MoX2 (X = S, Se, Te)
membranes, in their 2H and 1T phases, within the framework of the Stillinger–Weber potential.
Results showed that the fracture mechanism of these membranes occurs through a fast crack
propagation followed by their abrupt rupture into moieties. As a general trend, the translated
arrangement of the chalcogen atoms in the 1T phase contributes to diminishing their structural
stability when contrasted with the 2H one. Among the TMDs studied here, 2H-MoSe2 has a higher
tensile strength (25.98 GPa). | pt_BR |
| dc.identifier.orcid | https://orcid.org/0000-0001-9058-510X | pt_BR |
| dc.identifier.orcid | https://orcid.org/0000-0002-3941-2382 | pt_BR |
| dc.identifier.orcid | https://orcid.org/0000-0003-1101-3029 | pt_BR |
| dc.identifier.orcid | https://orcid.org/0000-0003-1804-3650 | pt_BR |
| dc.identifier.orcid | https://orcid.org/0000-0002-3003-3458 | pt_BR |
| dc.identifier.orcid | https://orcid.org/0000-0001-7468-2946 | pt_BR |
| Aparece nas coleções: | Artigos publicados em periódicos e afins
|
