New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversion
Main Author: | |
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Publication Date: | 2020 |
Other Authors: | , , , |
Format: | Article |
Language: | eng |
Source: | Repositório Institucional da UNESP |
Download full: | http://dx.doi.org/10.1016/j.matlet.2020.128067 http://hdl.handle.net/11449/198987 |
Summary: | For the first time, 2D symmetric hydrogenated zinc oxide (H-gZnO) and inorganic graphenylene-like zinc oxide (IGP-ZnO) nanosheets have been proposed computationally. Both nanosheets show be stable, and they retain the semiconducting properties. A van der Waals interaction between the hydrogen atoms on H-gZnO is found. It was theoretically demonstrated that the dehydrogenation of H-gZnO leads to spontaneously convert to the IGP-ZnO. The structural differences between 2D nanosheets can lead to different applications. This theoretical prediction is open to experimentalists and other theoreticians for further studies. |
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New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversionGraphene-likeGraphenylene-likeNanosheetsZinc oxideZnO surfacesFor the first time, 2D symmetric hydrogenated zinc oxide (H-gZnO) and inorganic graphenylene-like zinc oxide (IGP-ZnO) nanosheets have been proposed computationally. Both nanosheets show be stable, and they retain the semiconducting properties. A van der Waals interaction between the hydrogen atoms on H-gZnO is found. It was theoretically demonstrated that the dehydrogenation of H-gZnO leads to spontaneously convert to the IGP-ZnO. The structural differences between 2D nanosheets can lead to different applications. This theoretical prediction is open to experimentalists and other theoreticians for further studies.Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Materials Science and Engineering Postgraduate Program Federal University of Rio Grande do NorteModeling and Molecular Simulation Group São Paulo State University UNESPChemistry Institute CDMF Federal University of São CarlosModeling and Molecular Simulation Group São Paulo State University UNESPFAPESP: 2013/07296-2FAPESP: 2016/25500-4FAPESP: 2019/08928-9FAPESP: 2019/12430-6Federal University of Rio Grande do NorteUniversidade Estadual Paulista (Unesp)Universidade Federal de São Carlos (UFSCar)Fabris, Guilherme S.L. [UNESP]Marana, Naiara L. [UNESP]Laranjeira, José A.S. [UNESP]Longo, ElsonSambrano, Julio R. [UNESP]2020-12-12T01:27:34Z2020-12-12T01:27:34Z2020-09-15info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://dx.doi.org/10.1016/j.matlet.2020.128067Materials Letters, v. 275.1873-49790167-577Xhttp://hdl.handle.net/11449/19898710.1016/j.matlet.2020.1280672-s2.0-85086448416Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengMaterials Lettersinfo:eu-repo/semantics/openAccess2021-10-22T21:54:34Zoai:repositorio.unesp.br:11449/198987Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462021-10-22T21:54:34Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversion |
title |
New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversion |
spellingShingle |
New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversion Fabris, Guilherme S.L. [UNESP] Graphene-like Graphenylene-like Nanosheets Zinc oxide ZnO surfaces |
title_short |
New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversion |
title_full |
New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversion |
title_fullStr |
New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversion |
title_full_unstemmed |
New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversion |
title_sort |
New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversion |
author |
Fabris, Guilherme S.L. [UNESP] |
author_facet |
Fabris, Guilherme S.L. [UNESP] Marana, Naiara L. [UNESP] Laranjeira, José A.S. [UNESP] Longo, Elson Sambrano, Julio R. [UNESP] |
author_role |
author |
author2 |
Marana, Naiara L. [UNESP] Laranjeira, José A.S. [UNESP] Longo, Elson Sambrano, Julio R. [UNESP] |
author2_role |
author author author author |
dc.contributor.none.fl_str_mv |
Federal University of Rio Grande do Norte Universidade Estadual Paulista (Unesp) Universidade Federal de São Carlos (UFSCar) |
dc.contributor.author.fl_str_mv |
Fabris, Guilherme S.L. [UNESP] Marana, Naiara L. [UNESP] Laranjeira, José A.S. [UNESP] Longo, Elson Sambrano, Julio R. [UNESP] |
dc.subject.por.fl_str_mv |
Graphene-like Graphenylene-like Nanosheets Zinc oxide ZnO surfaces |
topic |
Graphene-like Graphenylene-like Nanosheets Zinc oxide ZnO surfaces |
description |
For the first time, 2D symmetric hydrogenated zinc oxide (H-gZnO) and inorganic graphenylene-like zinc oxide (IGP-ZnO) nanosheets have been proposed computationally. Both nanosheets show be stable, and they retain the semiconducting properties. A van der Waals interaction between the hydrogen atoms on H-gZnO is found. It was theoretically demonstrated that the dehydrogenation of H-gZnO leads to spontaneously convert to the IGP-ZnO. The structural differences between 2D nanosheets can lead to different applications. This theoretical prediction is open to experimentalists and other theoreticians for further studies. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020-12-12T01:27:34Z 2020-12-12T01:27:34Z 2020-09-15 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://dx.doi.org/10.1016/j.matlet.2020.128067 Materials Letters, v. 275. 1873-4979 0167-577X http://hdl.handle.net/11449/198987 10.1016/j.matlet.2020.128067 2-s2.0-85086448416 |
url |
http://dx.doi.org/10.1016/j.matlet.2020.128067 http://hdl.handle.net/11449/198987 |
identifier_str_mv |
Materials Letters, v. 275. 1873-4979 0167-577X 10.1016/j.matlet.2020.128067 2-s2.0-85086448416 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Materials Letters |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.source.none.fl_str_mv |
Scopus reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
institution |
UNESP |
reponame_str |
Repositório Institucional da UNESP |
collection |
Repositório Institucional da UNESP |
repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
repository.mail.fl_str_mv |
|
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1799964658064424960 |