Abstract
A hydrolytically stable titanium carboxylate-based metal−organic framework (MOF), incorporating hydrogen-sulfate functions bounded to Ti-metal sites and named MIP-177-SO4H-LT, was prepared using a green and simple synthesis protocol. This solid exhibits a very high proton conductivity of 2.6 × 10–2 S cm–1 at 298 K and 95% relative humidity as evidenced by impedance spectroscopy measurements. This high level of performance maintained over 7 days combined with a very good chemical stability and green synthesis route positions this MOF as a promising candidate for further deployment as a proton-exchange membrane. Ab initio Molecular Dynamics simulations and advanced characterization tools (IR, UV–vis, TGA–MS) were further coupled to reveal a water-mediated proton transport Grotthuss-like mechanism.