MODELLING THE PROPERTIES OF SURFACES AND INTERFACES
WG4 members: Jonathan Bean, Samir Adbelouahed, Keith McKenna
homepage: www.york.ac.uk
Our research is unified under the general theme “modelling the properties of surfaces and interfaces”. In recent work we have focussed on nanometre sized and nano-structured systems, such as nanoparticles, nanopowders and thin film heterostructures, which possess unique properties (e.g. electronic, magnetic, optical and chemical) and have wide-ranging applications in fields such as electronics, catalysis, energy and medicine. There is constant demand for improved functionality of these systems and theoretical modelling plays a vital role. We address these problems, in close collaboration with experiment, by developing and employing a range of multi-scale theoretical and computational techniques to model the relevant conditions (i.e. temperature and pressure) and characteristic scales (e.g. time and length) relevant to real applications.