Pure and Ni2O3-decorated CeO2 nanoparticles applied as CO gas sensor: Experimental and theoretical insights

Autor: Rafael Aparecido Ciola Amoresi, Regiane Cristina de Oliveira, Leonélio Cichetto, Paula Mariela Desimone, Celso Manuel Aldao, Miguel Adolfo Ponce, Lourdes Gracia, Julio R. Sambrano, Elson Longo, Juan Andres, Alexandre Zirpoli Simões
Přispěvatelé: Universidade Estadual Paulista (UNESP), University Jaume I (UJI), Universidade Federal de São Carlos (UFSCar), University of Mar Del Plata and National Research Council (CONICET), University of Mar del Plata and National Research Council (CONICET) Juan B. Justo 4302
Jazyk: angličtina
Rok vydání: 2022
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Zdroj: Scopus
Repositório Institucional da UNESP
Universidade Estadual Paulista (UNESP)
instacron:UNESP
Popis: Made available in DSpace on 2022-05-01T13:11:38Z (GMT). No. of bitstreams: 0 Previous issue date: 2022-01-01 Centro Nacional de Pesquisa em Energia e Materiais Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) Laboratório Nacional de Luz Síncrotron Ministério da Ciência, Tecnologia, Inovações e Comunicações Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Ministerio de Ciencia, Innovación y Universidades Universitat Jaume I In the present work, the structural, morphological and electrical properties of CeO2 nanoparticles with spherical and rod-like morphologies and rods decorated with Ni2O3 were investigated. Morphological, structural and electronic analyses showed a relationship between the shape/size of particles and the respective surface types, number of carriers, density of vacancies and local structural atomic order, in addition to an influence on the electrical properties of the materials. Electrical analyses revealed that the rod-like morphology has a better CO sensor response than the spherical one. In order to complement and rationalize the experimental findings, simulations at the density functional theory (DFT) were carried out to investigate the two possible mechanisms (Langmuir˗Hinshelwood and Mars-Van Krevelen) acting on the CO adsorption process and elucidate the behavior of the sensor in heterojunction-type samples. School of Engineering São Paulo State University – UNESP, Guaratinguetá Department of Analytical and Physical Chemistry University Jaume I (UJI) Modeling and Molecular Simulations Group Sao Paulo State University – UNESP Functional Materials Development Center Federal University of São Carlos – UFSCar, São Carlos Institute of Materials Science and Technology (INTEMA) University of Mar Del Plata and National Research Council (CONICET) Institute of Scientific and Technological Research in Electronics (ICYTE) University of Mar del Plata and National Research Council (CONICET) Juan B. Justo 4302 School of Engineering São Paulo State University – UNESP, Guaratinguetá Modeling and Molecular Simulations Group Sao Paulo State University – UNESP FAPESP: 2013/07296-2 FAPESP: 2017/19143-7 FAPESP: 2019/09296-6 Laboratório Nacional de Luz Síncrotron: 24859 Ministerio de Ciencia, Innovación y Universidades: PGC2018094417-B-I00 Universitat Jaume I: UJI-B2019-30
Databáze: OpenAIRE
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