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

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Ciola Amoresi, Rafael Aparecido ; de Oliveira, Regiane Cristina ; Cichetto, Leonelio, Jr. ; Mariela Desimone, Paula ; Manuel Aldao, Celso ; Adolfo Ponce, Miguel ; Gracia, Lourdes ; Sambrano, Julio R. ; Longo, Elson ; Andres, Juan ; Simoes, Alexandre Zirpoli

• Document type: Journal article
• Source: CERAMICS INTERNATIONAL; v. 48, n. 10, p. 12-pg., 2022-04-06.

Abstract

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. (AU)

• FAPESP's process: 19/09296-6 - Femtosecond laser irradiation in CeO2 samples and advances in theoretical approach
• Grantee: Rafael Aparecido Ciola Amoresi
• Support Opportunities: Scholarships abroad - Research Internship - Post-doctor
• FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
• Grantee: Elson Longo da Silva
• Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC
• FAPESP's process: 17/19143-7 - An experimental theoretical approach of conduction mechanisms and interface defects of heterostructure sensors based on P-N and N-N semiconductors from CeO2 matrices
• Grantee: Rafael Aparecido Ciola Amoresi
• Support Opportunities: Scholarships in Brazil - Post-Doctoral