Thermally Conductive\nSelf-Healing Nanoporous Materials\nBased on Hydrogen-Bonded Organic Frameworks

Abstract

Hydrogen-bonded organic frameworks (HOFs) are a class\nof nanoporous\ncrystalline materials formed by the assembly of organic building blocks\nthat are held together by a network of hydrogen-bonding interactions.\nHerein, we show that the dynamic and responsive nature of these hydrogen-bonding\ninteractions endows HOFs with a host of unique physical properties\nthat combine ultraflexibility, high thermal conductivities, and the\nability to “self-heal”. Our systematic atomistic simulations\nreveal that their unique mechanical properties arise from the ability\nof the hydrogen-bond arrays to absorb and dissipate energy during\ndeformation. Moreover, we also show that these materials demonstrate\nrelatively high thermal conductivities for porous crystals with low\nmass densities due to their extended periodic framework structure\nthat is comprised of light atoms. Our results reveal that HOFs mark\na new regime of material design combining multifunctional properties\nthat make them ideal candidates for gas storage and separation, flexible\nelectronics, and thermal switching applications.