QENS study of Proton Diffusion in Functional Metal-Organic Frameworks

Complex proton conductors based upon metal-organic frameworks (MOFs) have attracted increasing interests for applications in fuel cells. We have developed new proton conductors based on stable and functionalised MOFs [MFM-300 (Cr) and MFM-300 (Cr)-SO3H]. Importantly, MFM-300(Cr)-SO3H exhibited remarkable proton conductivity (>10-2 S/cm at 25 oC under 98%RH), which is comparable with the current leading commercial material based upon Nifion polymers (10-1 S/cm at 60 to 80 oC under 98%RH). We request 7 days on IRIS to study the motion (and diffusion pathways) of active protons within the structures of these two MOF samples, aiming to reveal the nature of the high proton conductivity by analysing the QENS data together with our MD modelling studies.

基于金属有机框架（Metal-Organic Frameworks, MOFs）的复合质子导体在燃料电池应用领域受到了日益广泛的关注。我们研发了基于稳定功能化MOFs的新型质子导体[MFM-300(Cr)与MFM-300(Cr)-SO3H]。尤为关键的是，MFM-300(Cr)-SO3H展现出优异的质子传导性能：在25℃、98%相对湿度条件下，其传导率可达10^-2 S/cm，可与当前主流的基于Nifion聚合物的商用质子导体材料（在60~80℃、98%相对湿度条件下传导率为10^-1 S/cm）相媲美。我们申请使用IRIS装置开展为期7天的实验，以研究这两种MOF样品结构内活性质子的运动（及扩散路径），旨在通过分析准弹性中子散射（Quasielastic Neutron Scattering, QENS）数据并结合我们的分子动力学（Molecular Dynamics, MD）模拟研究，揭示该类材料高质子传导性能的本质。