Assistant Professor of Predictive Modelling, Dr Peter Brommer, has received a grant from the Royal Society for a graphene simulation project. The award will fund a dedicated computer cluster able to handle many terabytes of data generated by Dr Brommer's modelling simulations.

The properties of graphene, a single atom thick layer of graphite, can be tailored by incorporating oxygen or nitrogen, but subsequent characterisation is challenging. In this study, Dr Brommer will simulate these modified systems to predict their spectroscopic signatures. Following this, he will work with experimental colleagues to enable robust and quantative analysis of graphene.

By covalently functionalising graphene with elements like oxygen or nitrogen, intentionally or accidentally during the production process, the electronic and other properties of this material can be changed to various degrees. For example, oxidised graphene is water-soluble, which allows much simpler processing. To benefit from the much broader spectrum of properties, it is necessary to identify which process leads to which defects, as a first step towards controlled modification of material properties. The outcome of Dr Brommer's study may have general interest beyond graphene, to other materials.

For more information, visit Dr Brommer’s webpage.