CeO2 Nanoparticle Morphologies and Their Corresponding Crystalline Planes for the Photocatalytic Degradation of Organic Pollutants
Main Author: | |
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Publication Date: | 2019 |
Other Authors: | , , , , , , , |
Format: | Article |
Language: | eng |
Source: | Repositório Institucional da UNESP |
Download full: | http://dx.doi.org/10.1021/acsanm.9b01452 http://hdl.handle.net/11449/201308 |
Summary: | Currently, numerous properties of semiconducting oxides are correlated to their morphological characteristics resulting from their exposed surfaces. In the present work, the relationship between the following morphologies rod, bean, hexagon, and rod/cube of CeO2 with the exposure of (111), (110), (100), and (311) surfaces and the main charge carriers generated by the photochemical processes was investigated. This was done in regard to the degradation of ciprofloxacin and rhodamine-B. The initial stages of the degradation of the two types of molecules were evaluated, allowing the determination of where the charge carriers generated in the semiconductor preferentially acted on the molecules. Therefore, the active species in each photocatalyst were identified by scavenger tests and correlated to the computational simulations using the density functional theory. Accordingly, the relationships between the morphology, surface exposure in the particles, surface defects, photochemically generated species, and preferential attack on the micropollutant molecule were shown. Specific surface area analyses demonstrate an effective relationship between photocatalytic activity and the exposed surface of the particle. This will allow rationalization of the relation between the catalytic and electronic properties of semiconductor surfaces. |
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CeO2 Nanoparticle Morphologies and Their Corresponding Crystalline Planes for the Photocatalytic Degradation of Organic PollutantsCeO2CIPDFTscavengerssurfaceCurrently, numerous properties of semiconducting oxides are correlated to their morphological characteristics resulting from their exposed surfaces. In the present work, the relationship between the following morphologies rod, bean, hexagon, and rod/cube of CeO2 with the exposure of (111), (110), (100), and (311) surfaces and the main charge carriers generated by the photochemical processes was investigated. This was done in regard to the degradation of ciprofloxacin and rhodamine-B. The initial stages of the degradation of the two types of molecules were evaluated, allowing the determination of where the charge carriers generated in the semiconductor preferentially acted on the molecules. Therefore, the active species in each photocatalyst were identified by scavenger tests and correlated to the computational simulations using the density functional theory. Accordingly, the relationships between the morphology, surface exposure in the particles, surface defects, photochemically generated species, and preferential attack on the micropollutant molecule were shown. Specific surface area analyses demonstrate an effective relationship between photocatalytic activity and the exposed surface of the particle. This will allow rationalization of the relation between the catalytic and electronic properties of semiconductor surfaces.Faculty of Engineering of Guaratinguetá São Paulo State University UNESPModeling and Molecular Simulations Group São Paulo State University UNESPInterdisciplinary Laboratory of Electrochemistry and Ceramics LIEC Department of Chemistry Universidade Federal de São Carlos UFSCARUFSCar Department of Chemistry Universidade Federal de São Carlos UFSCARInterdisciplinary Laboratory of Electrochemistry and Ceramics LIEC Chemistry Institute São Paulo State University UNESPFaculty of Engineering of Guaratinguetá São Paulo State University UNESPModeling and Molecular Simulations Group São Paulo State University UNESPInterdisciplinary Laboratory of Electrochemistry and Ceramics LIEC Chemistry Institute São Paulo State University UNESPUniversidade Estadual Paulista (Unesp)Universidade Federal de São Carlos (UFSCar)Amoresi, Rafael A. C. [UNESP]Oliveira, Regiane C. [UNESP]Marana, Naiara L. [UNESP]De Almeida, Priscila B.Prata, Paloma S.Zaghete, Maria A. [UNESP]Longo, ElsonSambrano, Julio R. [UNESP]Simões, Alexandre Z. [UNESP]2020-12-12T02:29:15Z2020-12-12T02:29:15Z2019-10-25info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article6513-6526http://dx.doi.org/10.1021/acsanm.9b01452ACS Applied Nano Materials, v. 2, n. 10, p. 6513-6526, 2019.2574-0970http://hdl.handle.net/11449/20130810.1021/acsanm.9b014522-s2.0-85074675237Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengACS Applied Nano Materialsinfo:eu-repo/semantics/openAccess2021-10-22T17:02:11Zoai:repositorio.unesp.br:11449/201308Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462021-10-22T17:02:11Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
CeO2 Nanoparticle Morphologies and Their Corresponding Crystalline Planes for the Photocatalytic Degradation of Organic Pollutants |
title |
CeO2 Nanoparticle Morphologies and Their Corresponding Crystalline Planes for the Photocatalytic Degradation of Organic Pollutants |
spellingShingle |
CeO2 Nanoparticle Morphologies and Their Corresponding Crystalline Planes for the Photocatalytic Degradation of Organic Pollutants Amoresi, Rafael A. C. [UNESP] CeO2 CIP DFT scavengers surface |
title_short |
CeO2 Nanoparticle Morphologies and Their Corresponding Crystalline Planes for the Photocatalytic Degradation of Organic Pollutants |
title_full |
CeO2 Nanoparticle Morphologies and Their Corresponding Crystalline Planes for the Photocatalytic Degradation of Organic Pollutants |
title_fullStr |
CeO2 Nanoparticle Morphologies and Their Corresponding Crystalline Planes for the Photocatalytic Degradation of Organic Pollutants |
title_full_unstemmed |
CeO2 Nanoparticle Morphologies and Their Corresponding Crystalline Planes for the Photocatalytic Degradation of Organic Pollutants |
title_sort |
CeO2 Nanoparticle Morphologies and Their Corresponding Crystalline Planes for the Photocatalytic Degradation of Organic Pollutants |
author |
Amoresi, Rafael A. C. [UNESP] |
author_facet |
Amoresi, Rafael A. C. [UNESP] Oliveira, Regiane C. [UNESP] Marana, Naiara L. [UNESP] De Almeida, Priscila B. Prata, Paloma S. Zaghete, Maria A. [UNESP] Longo, Elson Sambrano, Julio R. [UNESP] Simões, Alexandre Z. [UNESP] |
author_role |
author |
author2 |
Oliveira, Regiane C. [UNESP] Marana, Naiara L. [UNESP] De Almeida, Priscila B. Prata, Paloma S. Zaghete, Maria A. [UNESP] Longo, Elson Sambrano, Julio R. [UNESP] Simões, Alexandre Z. [UNESP] |
author2_role |
author author author author author author author author |
dc.contributor.none.fl_str_mv |
Universidade Estadual Paulista (Unesp) Universidade Federal de São Carlos (UFSCar) |
dc.contributor.author.fl_str_mv |
Amoresi, Rafael A. C. [UNESP] Oliveira, Regiane C. [UNESP] Marana, Naiara L. [UNESP] De Almeida, Priscila B. Prata, Paloma S. Zaghete, Maria A. [UNESP] Longo, Elson Sambrano, Julio R. [UNESP] Simões, Alexandre Z. [UNESP] |
dc.subject.por.fl_str_mv |
CeO2 CIP DFT scavengers surface |
topic |
CeO2 CIP DFT scavengers surface |
description |
Currently, numerous properties of semiconducting oxides are correlated to their morphological characteristics resulting from their exposed surfaces. In the present work, the relationship between the following morphologies rod, bean, hexagon, and rod/cube of CeO2 with the exposure of (111), (110), (100), and (311) surfaces and the main charge carriers generated by the photochemical processes was investigated. This was done in regard to the degradation of ciprofloxacin and rhodamine-B. The initial stages of the degradation of the two types of molecules were evaluated, allowing the determination of where the charge carriers generated in the semiconductor preferentially acted on the molecules. Therefore, the active species in each photocatalyst were identified by scavenger tests and correlated to the computational simulations using the density functional theory. Accordingly, the relationships between the morphology, surface exposure in the particles, surface defects, photochemically generated species, and preferential attack on the micropollutant molecule were shown. Specific surface area analyses demonstrate an effective relationship between photocatalytic activity and the exposed surface of the particle. This will allow rationalization of the relation between the catalytic and electronic properties of semiconductor surfaces. |
publishDate |
2019 |
dc.date.none.fl_str_mv |
2019-10-25 2020-12-12T02:29:15Z 2020-12-12T02:29:15Z |
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/acsanm.9b01452 ACS Applied Nano Materials, v. 2, n. 10, p. 6513-6526, 2019. 2574-0970 http://hdl.handle.net/11449/201308 10.1021/acsanm.9b01452 2-s2.0-85074675237 |
url |
http://dx.doi.org/10.1021/acsanm.9b01452 http://hdl.handle.net/11449/201308 |
identifier_str_mv |
ACS Applied Nano Materials, v. 2, n. 10, p. 6513-6526, 2019. 2574-0970 10.1021/acsanm.9b01452 2-s2.0-85074675237 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
ACS Applied Nano Materials |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
6513-6526 |
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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1797790190152974336 |