Synergistic Experimental-Theoretical DFT Study on the Photocatalytic Properties of Fibrous Silica-Titania and MoS₂ Nanostructures

Key Points

• The aim is to evaluate the photocatalytic properties of fibrous silica-titania and MoS₂ nanostructures for environmental applications.
• Synthesis of MoS₂ and fibrous silica-titania photocatalysts
• Characterization of photocatalytic activity through degradation tests
• Theoretical analysis using density functional theory (DFT)
• MoS₂ and fibrous silica-titania exhibit enhanced photocatalytic activity compared to individual materials.
• Optimal conditions for degradation processes were established.
• Theoretical insights correlate with experimental findings, confirming the effectiveness of the nanostructures.