Experimental and Theoretical Insights into the Structural Disorder and Gas Sensing Properties of ZnO
Autor(a) principal: | |
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Data de Publicação: | 2021 |
Outros Autores: | , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.1021/acsaelm.1c00058 http://hdl.handle.net/11449/209289 |
Resumo: | Recently, 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. |
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Experimental and Theoretical Insights into the Structural Disorder and Gas Sensing Properties of ZnOZnOstructural disorderRF magnetron sputteringreactive atmospheregas sensorRecently, 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.Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Union Iberoamericana de UniversidadesUniv Barcelona, ENFOCAT IN2UB, E-08028 Barcelona, SpainSao Paulo State Univ, Modeling & Mol Simulat Grp, BR-01049010 Bauru, SP, BrazilFed Univ Sao Carlos UFSCar, Dept Chem, BR-13565905 Sao Carlos, SP, BrazilUniv Sao Paulo, Sao Carlos Inst Phys, Sao Carlos, SP, BrazilSao Paulo State Univ, Modeling & Mol Simulat Grp, BR-01049010 Bauru, SP, BrazilFAPESP: 2018/07517-2FAPESP: 2019/22899-1FAPESP: 2013/07296-2FAPESP: 2016/25500-4FAPESP: 2019/12430-6FAPESP: 2019/08928-9FAPESP: MAT2017-87500-PAmer Chemical SocUniv BarcelonaUniversidade Estadual Paulista (Unesp)Universidade Federal de São Carlos (UFSCar)Universidade de São Paulo (USP)Lima, Bruno Sanches deMartinez-Alanis, Paulina R.Guell, FrankSantos Silva, Weverton Alison dosBernardi, Maria I. B.Marana, Naiara L. [UNESP]Longo, ElsonSambrano, Julio R. [UNESP]Mastelaro, Valmor R.2021-06-25T11:55:12Z2021-06-25T11:55:12Z2021-03-23info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article1447-1457http://dx.doi.org/10.1021/acsaelm.1c00058Acs Applied Electronic Materials. Washington: Amer Chemical Soc, v. 3, n. 3, p. 1447-1457, 2021.http://hdl.handle.net/11449/20928910.1021/acsaelm.1c00058WOS:000634556600046Web of Sciencereponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengAcs Applied Electronic Materialsinfo:eu-repo/semantics/openAccess2021-10-23T19:23:41Zoai:repositorio.unesp.br:11449/209289Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T13:34:09.835417Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Experimental and Theoretical Insights into the Structural Disorder and Gas Sensing Properties of ZnO |
title |
Experimental and Theoretical Insights into the Structural Disorder and Gas Sensing Properties of ZnO |
spellingShingle |
Experimental and Theoretical Insights into the Structural Disorder and Gas Sensing Properties of ZnO Lima, Bruno Sanches de ZnO structural disorder RF magnetron sputtering reactive atmosphere gas sensor |
title_short |
Experimental and Theoretical Insights into the Structural Disorder and Gas Sensing Properties of ZnO |
title_full |
Experimental and Theoretical Insights into the Structural Disorder and Gas Sensing Properties of ZnO |
title_fullStr |
Experimental and Theoretical Insights into the Structural Disorder and Gas Sensing Properties of ZnO |
title_full_unstemmed |
Experimental and Theoretical Insights into the Structural Disorder and Gas Sensing Properties of ZnO |
title_sort |
Experimental and Theoretical Insights into the Structural Disorder and Gas Sensing Properties of ZnO |
author |
Lima, Bruno Sanches de |
author_facet |
Lima, Bruno Sanches de Martinez-Alanis, Paulina R. Guell, Frank Santos Silva, Weverton Alison dos Bernardi, Maria I. B. Marana, Naiara L. [UNESP] Longo, Elson Sambrano, Julio R. [UNESP] Mastelaro, Valmor R. |
author_role |
author |
author2 |
Martinez-Alanis, Paulina R. Guell, Frank Santos Silva, Weverton Alison dos Bernardi, Maria I. B. Marana, Naiara L. [UNESP] Longo, Elson Sambrano, Julio R. [UNESP] Mastelaro, Valmor R. |
author2_role |
author author author author author author author author |
dc.contributor.none.fl_str_mv |
Univ Barcelona Universidade Estadual Paulista (Unesp) Universidade Federal de São Carlos (UFSCar) Universidade de São Paulo (USP) |
dc.contributor.author.fl_str_mv |
Lima, Bruno Sanches de Martinez-Alanis, Paulina R. Guell, Frank Santos Silva, Weverton Alison dos Bernardi, Maria I. B. Marana, Naiara L. [UNESP] Longo, Elson Sambrano, Julio R. [UNESP] Mastelaro, Valmor R. |
dc.subject.por.fl_str_mv |
ZnO structural disorder RF magnetron sputtering reactive atmosphere gas sensor |
topic |
ZnO structural disorder RF magnetron sputtering reactive atmosphere gas sensor |
description |
Recently, 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. |
publishDate |
2021 |
dc.date.none.fl_str_mv |
2021-06-25T11:55:12Z 2021-06-25T11:55:12Z 2021-03-23 |
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/10.1021/acsaelm.1c00058 Acs Applied Electronic Materials. Washington: Amer Chemical Soc, v. 3, n. 3, p. 1447-1457, 2021. http://hdl.handle.net/11449/209289 10.1021/acsaelm.1c00058 WOS:000634556600046 |
url |
http://dx.doi.org/10.1021/acsaelm.1c00058 http://hdl.handle.net/11449/209289 |
identifier_str_mv |
Acs Applied Electronic Materials. Washington: Amer Chemical Soc, v. 3, n. 3, p. 1447-1457, 2021. 10.1021/acsaelm.1c00058 WOS:000634556600046 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Acs Applied Electronic Materials |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
1447-1457 |
dc.publisher.none.fl_str_mv |
Amer Chemical Soc |
publisher.none.fl_str_mv |
Amer Chemical Soc |
dc.source.none.fl_str_mv |
Web of Science 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 |
|
_version_ |
1808128248461131776 |