The program FAULTS has been used to simulate the X-ray powder diffraction (XRD), neutron powder diffraction (NPD), and electron diffraction (ED) patterns of several structural models for LiNi1/3Mn1/3Co1/3O2, including different types of ordering of the transition metal (TM) cations in the TM slabs, different amounts of Li+/NiII+ cation mixing and different amounts of stacking faults. The results demonstrate the relevance of the structural information provided by NPD and ED data as compared with XRD to characterize the microstructure of NMC (LiNi1−y-zMnyCozO2) compounds.

In many ways, studies of materials and minerals by powder-diffraction techniques are complementary, with techniques honed in one field equally applicable to the other. Many of the example techniques described within this paper were developed for analysis of functional materials and subsequently applied to minerals. However, in a couple of cases, the study of new minerals was the initiation into techniques later used in materials-based studies. Hopefully they will show that the study of new minerals structures can provide opportunities to add new methodologies and approaches to future problems. In keeping with the Australian X-ray Analytical Association many of the examples have an Australian connection, the materials ranging from organics to battery materials.

Ionic liquids are well suited to the electrochemical synthesis of freestanding metallic nanowires as well as macroporous metals and semiconductors. Such materials are potentially interesting for future generation Li-ion batteries. As the energy density of current Li-ion batteries barely exceeds 0.15 kWh/kg (in contrast to the 12 kWh/kg of hydrocarbons), there is a need for new anode and cathode materials if electrically driven cars are to have more than a 150 km cruising range at an affordable price. Freestanding aluminum nanowires and macroporous aluminum are easily feasible from AlCl3-based ionic liquids and show promising charge/discharge behavior even with ionic liquids as electrolytes. The challenges and the potential to make nanowires or macroporous structures of semiconductors (Si, Ge) are also briefly discussed.