Point Defect Characterization in Energy Materials

About the project

Vacancy related point defects are of fundamental importance for a diverse range of energy materials, from fuel cell materials to fusion reactor wall materials. Conventional materials characterization methods are normally not capable of detecting and identifying point defects. Positron Annihilation Spectroscopy methods, when combined with density functional theory calculations have the capability of detecting and identifying the local structure of vacancy-related point defects.

This project can involve both computational calculations of positron annihilation parameters using two-component density functional theory, for example using Abinit and MIKA-Doppler, as well as experimental PAS studies. Initial studies will focus on suitable model fuel-cell oxide materials, for example, LiMPO4 (M = Fe, Ni, Mn, etc). This project will involve collaboration with several groups in Europe.

Diversity statement

Our research community thrives on the diversity of students and staff which helps to make the University of Dundee a UK university of choice for postgraduate research. We welcome applications from all talented individuals and are committed to widening access to those who have the ability and potential to benefit from higher education.