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Updated: Jun 14, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Upscaled wood@MoS2/Fe3O4 bulk catalysts for sustainable catalytic water pollutant removal
Lingli Zhu1, Wei Ren1, Ya Liu1
1School of Chemical Engineering, The University of Adelaide, Adelaide, SA 5005, Australia. wei.ren@adelaide.edu.au.
Abstract:
Advanced oxidation processes (AOPs) play a pivotal role in purifying contaminated water and securing drinking water safety. Transition metal-based materials are highly effective AOP catalysts, while their applications are limited by their poor stability in the oxidative environment. In this study, we developed a composite catalyst, molybdenum disulfide/ferric oxide (MoS2/Fe3O4), to evaluate its catalytic performance and explore its underlying mechanisms in peroxymonosulfate activation. The powder composite was successfully loaded onto an engineered wood substrate, creating a monolith wood@MoS2/Fe3O4 composite for large-scale practical applications. The engineered bulk catalyst exhibits exceptional versatility and stability in wastewater treatment, maintaining nearly 100% removal efficiency over continuous operation for 144 hours. These findings underscore the significant potential of wood-loaded nanomaterials for cost-effective wastewater treatment.
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