Endohedral Fullerene Molecular Switches

The project consists of an interdisciplinary project involving theoretical and experimental studies related to the development of multistate molecular switches based on endohedral fullerenes. It builds on a recently established successful collaboration between the PI and the co-supervisor, Dr Renald Schaub where the multistate switching in an endohedral fullerene was demonstrated using low temperature, ultra-high vacuum Scanning Tunnel Microscopy. A new collaboration has been initiated with Dr Amy Khoo, A*STAR Singapore to carry out theoretical calculations related to the Li@C60 switch system involving electronic structure calculations of the molecule deposited on a metal substrate and new calculations (involving code preparation) to determine the mechanism of the observed switching. These calculations will be carried out by the student during a placement in Singapore. The theoretical work will be accompanied by gas phase fs laser photoelectron spectroscopy studies in Edinburgh and low temperature, UHV experiments in St Andrews.