Atomic structure has a significant impact on materials’ functionalities. To probe these complex structural features and derive reliable atomistic models whose local structure also agrees with materials’ long-range ordering, we utilise a range of analytical tools from structure refinement to modelling and simulation.
Nanostructure
There is a growing interest in nanostructured electrode materials due to their desirable kinetic properties. But their nanoscopic nature renders characterisation via diffraction technique challenging.
Defects & Disorder
Structural defects and disorder (e.g. displacement, stacking faults, occupational disorder, etc) are frequently observed in electrode materials. These structural features are closely related to materials’ reactivities.
Phase Heterogeneity
Batteries are heterogeneous systems where redox reactions take place upon cycling. Thus understanding materials’ intricate phase behaviour is a prerequisite for a mechanistic study of their performances.