Solar energy materials in action: real-time molecular movies of pyroelectric switching by time-resolved X-ray diffraction

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The aim of the PhD project is to develop new, electrically switchable materials for solar energy generation by exploiting advanced techniques in Structural Chemistry to understand the crucial relationships between the structural and functional properties of the materials of interest. In particular, the research project will combine time-resolved (TR) experimentation, in which fast processes are studied in real time, with state-of-the-art X-ray diffraction (XRD) facilities that allow rapid data collection and accurate structure determination, and the project will exploit a globally unique lab-based TR-XRD instrument that is being developed by our research team. The ultimate aim is to apply this instrumentation to create "molecular movies" in which the switching processes are observed through changes in the 3D crystal structure as a function of time, leading to a detailed mechanistic understanding of the structural features responsible for switching, and facilitating the development and optimization of the materials of interest for applications in next-generation solar cells.The student will focus on electrically switchable crystals designed within the team and will use the TR-XRD instrument to establish the structural changes responsible for electrical switching, yielding new insights into the switching mechanisms. This knowledge will be fed back into materials design, leading to optimization of the materials for enhanced properties in solar harvesting. Through this research, the student will play a crucial role in the development of the new TR-XRD instrument in Cardiff and will also have the opportunity to be involved in the design of auto-processing and control procedures to enhance the efficient operation of the instrument. The research project will also include a complementary programme of TR-XRD experiments at Diamond Light Source (the UK synchrotron radiation facility), giving the student significant experience of carrying out research at a national research facility.