Abstract
To enhance the polarization distribution of electron cloud density on the catalyst surface, we have introduced a novel bimetallic-substituted dual-reaction center (DRC) catalyst (FeCo-γ-Al2O3) comprising iron (Fe) and cobalt (Co) for the decomplexation and mineralization of heavy metal complex Ni-EDTA in this study. Compared to the catalysts doped solely with Fe or Co, the bimetal-doped catalyst offered several advantages, including enhanced electron cloud polarization distribution, additional electron transfer pathway, and improved capacity of free radical generation. Through DFT calculations and EPR tests, we have elucidated the influences of the catalyst's adsorption toward Ni-EDTA and its decomplexation products on the electron transfer between the pollutant and the catalyst. The competition between the pollutants and H2O2 affects the generation of free radicals in both electron-rich Fe and Co centers as well as electron-deficient Al center. Building on these findings, we have proposed a plausible removal mechanism of Ni-EDTA using the heterogeneous Fenton-like catalyst FeCo-γ-Al2O3. This study sheds light on the potential of FeCo-γ-Al2O3 as a DRC catalyst and emphasizes the significance of pollutant characteristics in determining the catalyst's performance.
| Original language | English |
|---|---|
| Article number | 140538 |
| Journal | Chemosphere |
| Volume | 346 |
| DOIs | |
| State | Published - Jan 2024 |
| Externally published | Yes |
UN SDGs
This output contributes to the following UN Sustainable Development Goals (SDGs)
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SDG 3 Good Health and Well-being
Keywords
- Density functional calculation
- Dual electron-rich centers
- Heavy metal complex
- Heterogeneous fenton-like catalyst
- Reaction mechanism
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