Tracing proton conduction pathways in polycrystalline MOF-based core-shell systems - replication data

This dataset supports the manuscript titled "Tracing proton conduction pathways in polycrystalline MOF-based core-shell systems". It contains replication data for experimental and simulated N2 sorption studies. Included are Adsorption Information Files (AIFs) for experimental adsorption–desorption isotherms shown in Figures S29–S31; tabulated data for simulated N2 isotherms (Figure S54) and MOF structures used in GCMC simulations (cif files). Detailed file descriptions and instructions are provided in the accompanying 00_README.txt.