On the mechanism of ion conduction in nanocomposites of lithium borohydride and silica

This collection contains the data for the PhD thesis entitled “On the mechanism of ion conduction in nanocomposites of lithium borohydride and silica”, which contains the publications 10.1039/C9CP04235K, 10.1021/acs.jpcc.9b06477, 10.1021/acsaem.2c00527 and 10.1021/acs.jpcc.4c02667. The raw data consists of measurements performed using NMR (“fid”, see enclosed documentation file), electrochemical impedance spectroscopy (text files), infrared spectroscopy (text files), thermogravimetric measurements (text files), physisorption measurements (Excel), scanning calorimetry measurements (text files and images), electron microscopy images, and additional data in Excel format. The thesis studies LiBH4/SiO2 nanocomposites prepared via melt infiltration or ball milling using the techniques mentioned above. Chapter 1 is an introductory chapter describing the scientific background and techniques used. Chapter 2 reveals the effect of surface groups of the silica on the ionic conductivity. Chapter 3 elucidates the remarkable dynamics of LiBH4 confined within silica nanopores. Chapter 4 shows the complex chemistry at the interface between LiBH4 and SiO2. Chapter 5 compares the surface chemistry after ball milling or melt infiltration. It is followed by a summary in English and Dutch. In summary, it was demonstrated that the surface chemistry of the silica plays a crucial role in the formation of a layer of highly dynamic LiBH4, and therefore in the overall ionic conductivity of nanocomposites of lithium borohydride and silica. The chapters especially reveal how important the structural and chemical properties of the scaffold, and the preparation procedures of the nanocomposites, are with respect to the interface interaction that leads to the high ionic conductivity. These results are crucial to develop an optimal electrolyte based on a complex metal hydride.