Simultaneous Wide and Small Angle Operando Neutron Total Scattering to Probe Electrolyte Ordering in Supercapacitors

超级电容器中的能量存储在高表面积电极上的吸附离子的所谓双电层（EDL）中。然而，尽管它对超级电容器至关重要，但由于缺乏合适的方法，EDL的结构从未被测量到原子细节。这些系统的原子分辨测量只能通过使用多个同位素不同的数据集增强的中子散射来提供，并借助模型进行分析。小角散射给出了电极中孔结构的细节，其强度的变化与孔中电解质的组成直接相关。广角散射的分析揭示了离子的溶剂化结构以及离子和含氢溶剂在支撑电荷存储的电极表面的组织。这个为期4年的博士项目将开发一个操作电化学电池，以详细测量尼姆罗德上超级电容器中的EDL作为电荷的函数。进一步的发展将是增强高表面积和带电材料的模拟分析工具，有助于阐明EDL形成的结构和机制。

Energy in supercapacitors is stored in the so-called electrical double layer (EDL)of adsorbed ions on high surface area electrodes. However, despite its immenseimportance for supercapacitors, the structure of EDL has never been measuredin atomistic detail due to a lack of suitable methods.Atomistically-resolved measurements of these systems can only be provided byneutron scattering augmented using multiple isotopically-distinct datasets,analysed with the aid of models. Small-angle scattering gives details of the porestructure in the electrodes, with changes in intensity directly related toelectrolyte composition in the pores. Analysis of the wide angle scatteringreveals the solvation structure of the ions and the organisation of the ions andof hydrogen-containing solvents at the electrode surfaces that underpin chargestorageThis 4-year PhD project will develop an operando electrochemical cell to makedetailed measurements of the EDL in supercapacitors on NIMROD as a functionof charge. A further development will be the enhancement of simulation-basedanalysis tools specific to high surface area and charged materials, helping toelucidate the structure and mechanism of EDL formation.