Molecular-Level Interface Engineering and Additive-Induced Crystallinity Tuning for High-Performance Thermally...

Area of Science:

• Materials Science
• Polymer Chemistry
• Nanotechnology

Background:

• Improving thermal conductivity in polymer composites is crucial for advanced applications.
• Weak interfacial interactions between polymer matrices and nanofillers (e.g., hexagonal boron nitride (BN), expanded graphite (EG)) limit thermal performance.
• Effective interface engineering at the molecular level is key to overcoming these limitations.

Purpose of the Study:

• To design and synthesize a novel tetrathiafulvalene-based reactive mesogen (TRM) for enhanced polymer composite thermal conductivity.
• To investigate the molecular-level interfacial interactions between the TRM and common nanofillers (BN, EG).
• To demonstrate the significant improvement in thermal conductivity through optimized interface engineering.

Main Methods:

• Synthesis of a tetrathiafulvalene-based reactive mesogen (TRM).
• Fabrication of TRM-based polymer composites with hexagonal boron nitride (BN) and expanded graphite (EG).
• Systematic experimental analyses: photophysical, thermodynamic, structural.
• Computational analyses to support experimental findings.

Main Results:

• The synthesized TRM exhibits high intrinsic thermal conductivity and excellent interfacial affinity with BN and EG.
• TRM-based polymer composites demonstrate substantially enhanced thermal conductivity.
• Enhanced interfacial phonon transfer is identified as the primary mechanism for improved thermal conductivity.
• Experimental results are corroborated by theoretical interpretations.

Conclusions:

• Interface engineering at the molecular level is critical for maximizing the thermal properties of polymer composites.
• The developed TRM effectively bridges the interface between polymer matrices and nanofillers, significantly improving thermal conductivity.
• This study provides a novel molecular design strategy for high-performance thermally conductive polymer composites.