Hydrophobic dye solubilization via hybrid imogolite nanotubes probed using second harmonic scattering

Area of Science:

• Materials Science
• Nanotechnology
• Physical Chemistry

Background:

• Disperse Orange 3 (DO3) is a hydrophobic dye.
• Imogolite nanotubes are hybrid organic-inorganic materials with internal cavities.
• Understanding dye-nanotube interactions is crucial for material functionalization.

Purpose of the Study:

• To investigate the self-assembly and solubilization of DO3 dye molecules.
• To explore the organization and interactions of DO3 within hybrid imogolite nanotubes.
• To quantify the encapsulation efficiency and molecular arrangement inside nanotubes.

Main Methods:

• Molecular dynamics simulations were used to study DO3 self-assembly and interactions.
• Polarization-resolved second harmonic scattering (SHS) probed molecular organization.
• Hybrid imogolite nanotubes were utilized as a host material.

Main Results:

• DO3 forms insoluble 2D nanosheets in pure water.
• Hybrid imogolite nanotubes efficiently solubilize DO3 dye.
• Encapsulation leads to DO3 molecules aligning parallel to nanotube walls.
• High loading results in a strong SHS signal, confirming ordered encapsulation.

Conclusions:

• Hybrid imogolite nanotubes effectively host and organize hydrophobic DO3 dye molecules.
• The parallel alignment of DO3 within nanotubes is confirmed by SHS and simulations.
• This study demonstrates the potential of imogolite nanotubes for dye encapsulation and functionalization.