Experimental and Theoretical Insights into the Structural Disorder and Gas Sensing Properties of ZnO

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Autor(es): dc.contributorUniv Barcelona-
Autor(es): dc.contributorUniversidade Estadual Paulista (Unesp)-
Autor(es): dc.contributorUniversidade Federal de São Carlos (UFSCar)-
Autor(es): dc.contributorUniversidade de São Paulo (USP)-
Autor(es): dc.creatorLima, Bruno Sanches de-
Autor(es): dc.creatorMartinez-Alanis, Paulina R.-
Autor(es): dc.creatorGuell, Frank-
Autor(es): dc.creatorSantos Silva, Weverton Alison dos-
Autor(es): dc.creatorBernardi, Maria I. B.-
Autor(es): dc.creatorMarana, Naiara L. [UNESP]-
Autor(es): dc.creatorLongo, Elson-
Autor(es): dc.creatorSambrano, Julio R. [UNESP]-
Autor(es): dc.creatorMastelaro, Valmor R.-
Data de aceite: dc.date.accessioned2022-02-22T00:55:56Z-
Data de disponibilização: dc.date.available2022-02-22T00:55:56Z-
Data de envio: dc.date.issued2021-06-25-
Data de envio: dc.date.issued2021-06-25-
Data de envio: dc.date.issued2021-03-23-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1021/acsaelm.1c00058-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/209289-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/209289-
Descrição: dc.descriptionRecently, it was demonstrated that ZnO thin films sputtered under oxygen-rich atmospheres exhibit localized structural disorder with a significant impact on their physical properties due to the presence of high energetic ions in the plasma. Here, highly disordered ZnO thin films have been realized simply by using a metallic Zn target under a deposition atmosphere of pure oxygen (O-2). The results of XRD and Raman spectroscopy show that the defects induced during the deposition crystallize a highly disordered wurtzite-type structure. In addition, theoretical DFT calculations were applied for a better comprehension of the nature of these structural defects, in which it is shown that the presence of Zn and O in interstitial positions may be responsible for a symmetry break in the wurtzite structure. It is shown that high disorder of the structure has a significant impact on its fundamental properties. For instance, the UV-vis absorption curve shows a significant increase in the bandgap of ZnO, while photoluminescence (PL) measurements show the emergence of bands in the visible range, confirming the presence of Zn and O in interstitial positions. This manuscript also explores the gas sensing properties of films deposited under a pure oxygen atmosphere. Our results demonstrate that their sensitivity can be significantly enhanced toward oxidizing gas detection, such as ozone. On the other hand, it is shown that the gas sensing properties regarding reducing gas detection, such as H-2, are not significantly altered when compared to non-disordered ZnO.-
Descrição: dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)-
Descrição: dc.descriptionUnion Iberoamericana de Universidades-
Descrição: dc.descriptionUniv Barcelona, ENFOCAT IN2UB, E-08028 Barcelona, Spain-
Descrição: dc.descriptionSao Paulo State Univ, Modeling & Mol Simulat Grp, BR-01049010 Bauru, SP, Brazil-
Descrição: dc.descriptionFed Univ Sao Carlos UFSCar, Dept Chem, BR-13565905 Sao Carlos, SP, Brazil-
Descrição: dc.descriptionUniv Sao Paulo, Sao Carlos Inst Phys, Sao Carlos, SP, Brazil-
Descrição: dc.descriptionSao Paulo State Univ, Modeling & Mol Simulat Grp, BR-01049010 Bauru, SP, Brazil-
Descrição: dc.descriptionFAPESP: 2018/07517-2-
Descrição: dc.descriptionFAPESP: 2019/22899-1-
Descrição: dc.descriptionFAPESP: 2013/07296-2-
Descrição: dc.descriptionFAPESP: 2016/25500-4-
Descrição: dc.descriptionFAPESP: 2019/12430-6-
Descrição: dc.descriptionFAPESP: 2019/08928-9-
Descrição: dc.descriptionFAPESP: MAT2017-87500-P-
Formato: dc.format1447-1457-
Idioma: dc.languageen-
Publicador: dc.publisherAmer Chemical Soc-
Relação: dc.relationAcs Applied Electronic Materials-
???dc.source???: dc.sourceWeb of Science-
Palavras-chave: dc.subjectZnO-
Palavras-chave: dc.subjectstructural disorder-
Palavras-chave: dc.subjectRF magnetron sputtering-
Palavras-chave: dc.subjectreactive atmosphere-
Palavras-chave: dc.subjectgas sensor-
Título: dc.titleExperimental and Theoretical Insights into the Structural Disorder and Gas Sensing Properties of ZnO-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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