Copy of Proton Conductivity Pathways in Porous Organic Salts

Non-metal organic frameworks (NMOFs) represent a new class of porous materials exhibiting exceptionally high proton conductivity, relevant for energy technologies. However, the underlying proton transport mechanisms remain poorly understood. The NMOF T.Br, structurally related to highly conductive analogues like TTBT.Br, forms large single crystals suitable for detailed structural analysis. Preliminary X-ray diffraction studies on T.Br revealed ambiguities regarding hydrogen atom positions, the precise protonation state of the organic linker, and the potential presence of hydronium ions (H₃O⁺) contributing to charge balance. To resolve these uncertainties, we propose using single-crystal neutron diffraction. This experiment will precisely locate hydrogen atoms, definitively determine the hydrogen-bonding network and protonation states, and identify any proton carrier species like H₃O⁺ within the pores. These results will provide crucial mechanistic insights into proton conduction pathways in T.Br, which are expected to be transferable to the broader NMOF family, guiding the future design of improved proton conductors for fuel cell and battery research.