Inorganic nanomaterials

Using theoretical structure search methods (e.g. global optimisation, data mining) and classical and quantum mechanical modelling we determine the structure and properties of technologically important inorganic materials (e.g. ZnO, TiO2, CeO2) when one or more of their dimensions is reduced to the nanoscale. Our studies range from nanoclusters and nanoparticles to nanofilms and nanoporous materials. We also study how the non-bulk-like properties of inorganic nanoclusters can provide inspiration for novel nanostructured materials (e.g. low density polymorphs) for technological applications.

Selected articles