Endohedral Fullerene Molecular Switches

该项目包括一个跨学科的项目，涉及与开发基于面内富勒烯的多态分子开关相关的理论和实验研究。它建立在PI和共同主管Renald Schaub博士最近建立的成功合作的基础上，其中使用低温、超高真空扫描隧道显微镜演示了面内富勒烯的多态开关。与新加坡星空博士开展了一项新的合作，进行与Li@C60开关系统相关的理论计算，包括沉积在金属衬底上的分子的电子结构计算，以及确定观察到的开关机制的新计算(涉及代码编制)。这些计算将由学生在新加坡实习期间进行。理论工作将伴随着爱丁堡的气相飞秒激光光电子能谱研究和圣安德鲁斯的低温、超高电压实验。

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.