Connecting the 3D Structure and Composition of Catalytic Nanoparticles with Catalytic Performance

Catalyst nanoparticles are central to sustainable technologies, from electrochemical water splitting to carbon dioxide conversion and other key reactions underpinning the energy transition. Their nanoscale dimensions and multicomponent compositions provide a rich variety of surface structures and active sites that control catalytic performance. However, fully understanding how these nanoparticles evolve during reactions, including how their composition and atomic structure change, remains a major challenge.

This project aims to apply and advance atom probe tomography (APT) to characterise the 3D atomic-scale structure and chemistry of multicomponent alloy nanoparticles used in catalysis. APT uniquely combines near-atomic spatial resolution with elemental sensitivity, offering unparalleled insight into structural and compositional variations (right). 

The student will develop novel approaches for embedding size-selected nanoparticles in suitable matrices to enable reliable APT analysis, building on recent advances in electrochemical embedding strategies (see Kim et al. Ultramicroscopy 2018, 190, 30-38) as well as exploring alternatives such as atomic layer deposition (ALD) and novel strategies to coat prepared APT specimens containing nanoparticles. Focused ion beam (FIB) preparation methods will be employed to fabricate high-quality APT specimens, and complementary STEM–EELS analysis will be used to provide correlative information on morphology and chemical state.

With these tools, the student will undertake in-depth characterisation of nanoparticles before and after catalytic reactions. By correlating the 3D APT information with microscopic and spectroscopic data, this project will provide new insights into how nanoparticle catalysts restructure and segregate under working conditions, helping to guide the rational design of more active, selective, and stable catalytic materials.

Through this DPhil, you will gain experience across advanced characterisation, materials processing, and data analysis, working with state-of-the-art facilities in Oxford and at national centres. The project offers significant flexibility to focus on experimental method development, catalyst synthesis, or reaction studies, and will involve close collaboration between the Energy Materials Interfaces Group (Weatherup) and the Atom Probe Group (Bagot) within the Department of Materials.