Composites of Anthraquinone Dyes@HKUST-1 with Tunable Microstructuring: Experimental and Theoretical Interaction...

Area of Science:

• Materials Science
• Chemistry
• Nanotechnology

Background:

• Metal-organic frameworks (MOFs) are advanced porous materials with tunable structures.
• Anthraquinone dyes are widely used but can pose environmental challenges.
• HKUST-1 is a well-known MOF with potential applications in adsorption and separation.

Purpose of the Study:

• To investigate the loading capacity of HKUST-1 for various anthraquinone dyes.
• To characterize the interactions between dyes and the HKUST-1 framework.
• To explore the influence of preparation conditions on dye-MOF composites.

Main Methods:

• Characterization of MOF and dye-MOF composites using XRD, FTIR, TGA, and SEM.
• Differential analysis for theoretical-experimental interaction characterization.
• One-pot loading strategy for efficient dye scavenging.
• N2 adsorption, XPS, and ab initio calculations (CRYSTAL14, PBE0) for interaction studies.

Main Results:

• HKUST-1 demonstrated efficient scavenging of anthraquinone dyes, achieving 100% removal for Disperse Blue 56.
• SEM analysis revealed significant microstructural modifications and diverse composite morphologies.
• Theoretical-experimental analysis and computational modeling confirmed O→Cu coordinative bonds as key interactions.

Conclusions:

• HKUST-1 is an effective matrix for anthraquinone dye removal.
• Dye-MOF interactions are primarily governed by coordinative bonds.
• Microstructure and loading efficiency are influenced by dye type and preparation methods.