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α-Fe2O3 nanorods on CoFe-LDH@MX via interfacial interactions for Congo red removal: Experimental and mechanistic studies.
- Source :
- Journal of Environmental Chemical Engineering; Jun2024, Vol. 12 Issue 3, pN.PAG-N.PAG, 1p
- Publication Year :
- 2024
-
Abstract
- Developing a 3D material to support α-Fe 2 O 3 nanorods to improve their adsorption performance for Congo Red (CR) is a major challenge. Herein, a novel 3D composite adsorbent was designed, where 2D material Ti 3 C 2 MX and CoFe-LDH stacked on top of each other as the support material of α-Fe 2 O 3 nanorods (α-Fe 2 O 3 @LDH@MX). The specific surface area of the α-Fe 2 O 3 @LDH@MX was increased by 2 times (101.28 m<superscript>2</superscript>/g) than original CoFe-LDH@MX, thus more favorable for capturing CR (698.25 mg/g). The results of kinetic studies demonstrate that the effective 3D composite structure enables unhindered movement of CR within the α-Fe 2 O 3 @LDH@MX. The Langmuir model can accurately describe the adsorption process of CR on the α-Fe 2 O 3 @LDH@MX, which means that the process belongs to monomolecular layer chemisorption. Molecular dynamics simulations revealed that the α-Fe 2 O 3 interface primarily interacts with oxygen within the -SO 3 group, achieving an adsorption energy up to E in teraction = −20,375.89 kcal/mol. The results of XPS analysis further revealed that interaction between Fe and O achieved the removal of CR. In this paper, the enhancement of α-Fe 2 O 3 adsorption performance has been successfully achieved through innovative structural design. This significantly advances its potential applications and offers new insights for future material design. [Display omitted] • 3D support improves the exposure of α-Fe 2 O 3 nanorod active sites and promotes rapid response to Congo red. • α-Fe 2 O 3 @LDH@MX has outstanding adsorption capacity for Congo red and excellent anti-interference ability. • Quantum chemistry and molecular dynamics simulations were used to provide in-depth insights into the adsorption mechanism. [ABSTRACT FROM AUTHOR]
- Subjects :
- CONGO red (Staining dye)
FERRIC oxide
NANORODS
MOLECULAR dynamics
QUANTUM chemistry
Subjects
Details
- Language :
- English
- ISSN :
- 22133437
- Volume :
- 12
- Issue :
- 3
- Database :
- Supplemental Index
- Journal :
- Journal of Environmental Chemical Engineering
- Publication Type :
- Academic Journal
- Accession number :
- 177629987
- Full Text :
- https://doi.org/10.1016/j.jece.2024.113059