Tailoring of thermal conductance across two-dimensional MoS2 and polymer interface by self-assembled monolayer

The integration of two-dimensional (2D) materials with polymeric substrates has gained significant attention in the field of flexible electronics. However, the fundamental understanding of thermal transport across 2D material–polymer interface remains insufficient, resulting in critical thermal management challenges for high-performance flexible devices. This work systematically investigates and enhances interfacial thermal transport at the molybdenum disulfide (MoS2)–polyimide (PI) interface through surface functionalization with NH2-terminated self-assembled monolayer (SAM). Significantly, the thermal boundary conductance at the modified interface demonstrates a 67% enhancement compared to the pristine system. Systemic characterization reveals that this improvement originates from synergistic effects, including the strengthened interfacial bonding through N–Mo covalent interactions and improved surface morphological compatibility. The reduced interfacial thermal resistance enables efficient heat dissipation in MoS2 devices, as demonstrated by 51% increase in maximum power density for SAM-modified MoS2 top-gate field-effect transistor compared to the conventional structures. These findings establish a materials engineering paradigm for interface thermal management in flexible electronics, providing both fundamental insights into nanoscale heat transfer mechanisms and practical strategies for developing high-power density flexible devices.