Titre :

Photocatalytic activity of ZnMn2O4/TiO2 heterostructure under solar light irradiation: Experimental and theoretical study

Auteur(s) :

Ahmia, N. [Auteur]
Benamira, M. [Auteur]
Messaadia, L. [Auteur]
Colmont, Marie [Auteur]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Boulahbel, H. [Auteur]
Centre de Recherche Scientifique et Technique en Analyses Physico-Chimiques [CRAPC]
Lahmar, H. [Auteur]
Université Mohammed Seddik Benyahia [Jijel] | University of Jijel [UMSBJ]
Souici, A. [Auteur]
Laboratoire de Physico-Chimie des Matériaux et Catalyse [Université Abderrahmane Mira - Bejaia] [LPCMC]
Trari, M. [Auteur]
Université des Sciences et de la Technologie Houari Boumediene = University of Sciences and Technology Houari Boumediene [Alger] [USTHB]

Titre de la revue :

Journal of Molecular Structure

Nom court de la revue :

J. Mol. Struct.

Numéro :

1306

Pagination :

-

Date de publication :

2024-04-18

ISSN :

0022-2860

Mot(s)-clé(s) en anglais :

Auto-combustion method
Photocatalysis
Heterojunction
Solar light

Discipline(s) HAL :

Chimie

Résumé en anglais : [en]

This study focuses on the application of the hetero-junction ZnMn2O4/TiO2 as an efficient photocatalyst for the degradation of Rhodamine B (RhB), a cationic dye. ZnMn2O4 was synthesized by sol-gel auto-combustion, employing ...
Lire la suite >This study focuses on the application of the hetero-junction ZnMn2O4/TiO2 as an efficient photocatalyst for the degradation of Rhodamine B (RhB), a cationic dye. ZnMn2O4 was synthesized by sol-gel auto-combustion, employing citric acid as fuel. The photocatalysts underwent characterization by X-ray diffraction, Fourier Transform infrared spectroscopy, Scanning Electronic Microscopy with integrated EDX and UV–Vis Diffuse Reflectance. Creating a p-n heterojunction could significantly boost photocatalytic efficiency. In this work, we use TiO2 as a n-type co-catalyst to enhance electron transfer efficiency. The ZnMn2O4 spinel exhibits direct optical transition at 1.97 eV, while TiO2 displays an indirectly allowed transition at 3.24 eV. Mott-Schottky plots revealed flat band potentials of -0.121 and +0.3 V/SCE for ZnMn2O4 and TiO2, respectively. Kinetic data of RhB adsorption were fitted using the pseudo-second order model. The heterojunction p-ZnMn2O4/n-TiO2 demonstrates a significant pollutant degradation rate, with 95% removal within 180 min under sunlight irradiation, surpassing the effectiveness of ZnMn2O4. To validate the experimental results, a theoretical investigation was conducted using density functional theory (DFT) and molecular dynamics (MD) simulations. Geometry optimization of the Rhodamine B molecule was studied in both gas and liquid phases, and various quantum chemical parameters were computed. Molecular dynamics simulations were additionally employed to examine the dynamic behavior of Rhodamine B adsorption on ZnMn2O4 (211) and TiO2 (101) surfaces in an aqueous environment.Lire moins >

Langue :

Anglais

Comité de lecture :

Oui

Audience :

Internationale

Vulgarisation :

Non

Établissement(s) :

Université de Lille
CNRS
Centrale Lille
ENSCL
Univ. Artois

Collections :

• Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181

Date de dépôt :

2024-05-25T21:09:06Z
2024-06-05T08:03:08Z