Understanding electronic and optical properties of nanoparticles and nanostructures (Gaston, Kaiser, LeRu)

More generally, we will use the new theoretical model for graphene developed by Uli Zuelicke (Theme 1) and collaborators to interpret experimental data on the effect of defects, external fields and mechanical strain, with a long-term aim of identifying possibilities for carbon spintronics.  We will investigate cupric oxide nanowires and films, and the use of carbon nanotubes to improve thermoelectric devices for conversion of heat energy to electrical energy.  Electronic structure calculations are used to characterise the relationship between structure and electronic properties of nanoparticles and clusters.  We will investigate the influence of substrate and broader environmental factors on these properties, with reference to applications in sensing and catalysis. 

This dovetails with our experimental and theoretical work in the area of nano-plasmonics including, in particular, surface-enhanced spectroscopies (Raman and fluorescence).

We aim to understand the mechanism of photoionisation and electron trapping due to tunnelling through the bandgap barriers and trapping at defect sites in wide-band gap optical materials such as fluoride superlattices.