Unveiling the strain-sensitive thermal transport properties of chlorinated diamane

Abstract

The impact of tensile biaxial strain on the thermal transport properties of hydrogen (HD), fluorine (FD), and chlorine (ClD) functionalized diamane is investigated by using the Boltzmann transport equation. Our results reveal ClD as an exceptionally strain-sensitive material for thermal transport applications, exhibiting a 70% reduction in thermal conductivity at a 5% strain—outperforming HD and FD. The strain-induced modifications in phonon dispersion and phonon scattering rates result in the unique responsiveness of ClD. This discovery positions ClD as a promising candidate for applications demanding highly tunable thermal conductivity. The ability to precisely control thermal properties makes ClD an ideal candidate for the development of thermal smart metamaterials, opening avenues for innovations in thermal management and diverse applications in the field of advanced materials.