Proton Conduction in a Phosphonate-Based Metal–Organic Framework Mediated by Intrinsic “Free Diffusion inside a Sphere”

Understanding the molecular mechanism of proton conduction is crucial for the design of new materials with improved conductivity. Quasi-elastic neutron scattering (QENS) has been used to probe the mechanism of proton diffusion within a new phosphonate-based metal-organic framework (MOF) material, MFM-500(Ni). QENS suggests that the proton conductivity (4.5 × 10(-4) S/cm at 98% relative humidity and 25 °C) of MFM-500(Ni) is mediated by intrinsic "free diffusion inside a sphere", representing the first example of such a mechanism observed in MOFs.