Author(s): 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]
Date: 2020
Persistent ID: http://hdl.handle.net/11449/201308
Origin: Oasisbr
Subject(s): CeO2; CIP; DFT; scavengers; surface
Made available in DSpace on 2020-12-12T02:29:15Z (GMT). No. of bitstreams: 0 Previous issue date: 2019-10-25
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.
Faculty of Engineering of Guaratinguetá São Paulo State University UNESP
Modeling and Molecular Simulations Group São Paulo State University UNESP
Interdisciplinary Laboratory of Electrochemistry and Ceramics LIEC Department of Chemistry Universidade Federal de São Carlos UFSCAR
UFSCar Department of Chemistry Universidade Federal de São Carlos UFSCAR
Interdisciplinary Laboratory of Electrochemistry and Ceramics LIEC Chemistry Institute São Paulo State University UNESP
Faculty of Engineering of Guaratinguetá São Paulo State University UNESP
Modeling and Molecular Simulations Group São Paulo State University UNESP
Interdisciplinary Laboratory of Electrochemistry and Ceramics LIEC Chemistry Institute São Paulo State University UNESP
