Unlocking interfacial dynamics of biocompatible MXene/polyurethane-based nanocomposites for photothermal de-icing and thermal safety.

[Display omitted] • The constructed similar structure reduces binding energy between MXene and PU. • 120 °C is achieved under two suns through synergistic photothermal effect. • MXene-TT/PU shows a large reduction of 47.06% in peak heat release rate. • Flame retardancy mechanism is revealed through molecular dynamic simulation. MXene, renowned for its exceptional metallic conductivity, thermal conductivity, and tunable surface chemistry, has shown great potential for various applications in energy storage, catalysis, electromagnetic shielding and photothermal conversion. However, the inherent inorganic nature of MXene poses a significant challenge in excavating its potential when incorporated into organic polymer matrix. Herein, we develop an interface engineering strategy to functionalize the surface chemistry of MXene via in-situ polymerization of tannic acid and toluene diisocyanate (TA and TDI, abbreviated as TT), protecting the MXene from oxidation while enhancing the interface compatibility between MXene and polyurethane (PU). MXene-TT/PU with high machinability, processibility and thermal stability is achieved through the urethane groups interactions from MXene-TT and PU, which shows a large reduction of 47.06% in peak heat release rate and 24.53% in peak total heat release, respectively. The mechanism of greatly improved flame retardancy is revealed by Molecular dynamic simulations. Moreover, MXene-TT/PU also exhibits rapid photothermal de-icing under simulated solar irradiation, with the surface ice begin to thaw in ∼30 s. This design concept, which is based on similar molecular structures, provides an effective approach to address the interfacial and stability issues associated with MXene, thereby enhancing its flame retardancy, mechanical properties, and photothermal de-icing capabilities. [ABSTRACT FROM AUTHOR]