研究目的
To design, prepare, and characterize a new 3D Cu(II)-based metal-organic framework (MOF) using a ligand-truncation and functionalization strategy, and to evaluate its photocatalytic properties for the degradation of organic dyes such as methyl violet and Rhodamine B in wastewater treatment.
研究成果
The synthesized 3D Cu(II)-based MOF with 1D hexangular channels effectively degrades organic dyes, particularly methyl violet, under UV light, with good recyclability. DOS calculations suggest a photocatalytic mechanism involving electron-hole pair generation. This work contributes to the development of MOF-based photocatalysts for environmental remediation.
研究不足
The study is limited to UV light irradiation for photocatalysis, which may not be efficient under visible light. The MOF's stability and recyclability were tested only for a few cycles, and long-term performance under various conditions is not fully explored. The mechanism is proposed based on calculations and may require experimental validation.
1:Experimental Design and Method Selection:
The study employed a ligand-truncation and functionalization strategy to synthesize a Cu(II)-based MOF. Single crystal X-ray diffraction was used for structural characterization, and photocatalytic degradation experiments were conducted under UV light irradiation. Density functional theory (DFT) calculations were performed for mechanistic insights.
2:Sample Selection and Data Sources:
The MOF [Cu2(L1)?5DMF]n (1) was synthesized using H4L1 ligand (3,5-di(3,5-dicarboxyphenyl)nitrobenzene). Organic dyes methyl violet (MV) and Rhodamine B (Rh B) were used as model pollutants.
3:List of Experimental Equipment and Materials:
Equipment included X-ray diffractometer for single crystal and powder analysis, UV-Vis spectrophotometer for monitoring dye degradation, nitrogen adsorption analyzer for porosity measurements, and computational tools for DOS calculations. Materials involved Cu(II) salts, ligands, solvents (e.g., DMF), and organic dyes.
4:Experimental Procedures and Operational Workflow:
Synthesis of MOF 1 via solvothermal methods, characterization by X-ray diffraction and BET surface area analysis. Photocatalytic tests involved irradiating dye solutions with UV light in the presence of MOF 1, with periodic sampling for UV-Vis analysis to track degradation. Control experiments without the catalyst were also performed. Recycle tests assessed catalyst stability.
5:Data Analysis Methods:
UV-Vis data were analyzed to calculate degradation percentages. BET and Langmuir methods were used for surface area determination. DOS and pDOS calculations based on DFT provided electronic structure insights.
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