Overview
This project focuses on discovery of new functional materials for clean energy applications, through experimental synthesis and structure determination using advanced X‑ray and electron diffraction techniques. The student will relate structure to properties such as thermal conductivity and ion transport, working within a multidisciplinary team at Liverpool’s Materials Innovation Factory to develop strong experimental, communication and team-working skills.
About this opportunity
The discovery of new functional materials consisting of new structure types is key in addressing many technological challenges especially in energy generation and energy storage. To understand the properties of the new materials, to then enable even better performance, detailed structural understanding is required using techniques such as X-ray and electron diffraction and transmission electron microscopy on single crystals and powder samples. An understanding of the crystal structure provides a wealth of physical information to the materials chemist, revealing the positions of the atoms and enabling their detailed connection to properties, that is often unavailable or hard to obtain from other spectroscopic techniques.
The student will gain expertise in various techniques to synthesise and grow single crystal and polycrystalline samples of a range of materials with functional properties e.g., ultra low-thermal conductivity, topological behaviour, or ionic conductivity. Using single crystal and powder X-ray and electron diffraction techniques available in a new suite of instruments located in the Materials Innovation Factory, along with crystal chemistry and physics, the student will determine the detailed crystal structures of the materials to relate to their measured properties.
This is an exciting opportunity to join a strong team of computational and experimental material chemists working together in the discovery of new materials. The student will be based in the state-of-the-art laboratories of the Materials Innovation Factory (https://www.liverpool.ac.uk/materials-innovation-factory/) at the University of Liverpool and will be part of a multi-disciplinary team of materials and computational chemists, crystallographers and measurement physicists. As well as obtaining knowledge and experience in crystallographic techniques, the student will develop skills in teamwork and scientific communication as computational and experimental researchers within the team work closely together. Applications are welcomed from candidates with a strong undergraduate interest and/or background in solid state chemistry, condensed matter physics, materials science or related fields.
Further reading
1. G. Han et al., Superionic lithium transport via multiple coordination environments defined by two-anion packing, Science, 383 (2024) 739-745. DOI: 10.1126/science.adh51
2. N. Gulay et al., Control of Magnetism via B-Site Order and Disorder in Y2NiTiO6 Perovskite, Inorg. Chem., 64 (2025) 20705–20713. https://doi.org/10.1021/acs.inorgchem.5c03186
3. N. Gulay et al., Topology Augmented with Geometry in the Assembly of Structural Databases: Kagome Intermetallics. Adv. Sci. 12 (2025) e17041. https://doi.org/10.1002/advs.202417041
4. J.P. Scheifers et al., Superstructure Formation through Coupled Anion and Cation Ordering in Cu-Substituted Lead Oxyapatites Chem. Mater. 37 (2025) 3088–309. https://doi.org/10.1021/acs.chemmater.4c03130
5. Q. Gibson et al., Control of Polarity in Kagome-NiAs Bismuthides, Angew. Chem. Int. Ed. 63 (2024) e202403670. https://doi.org/10.1002/anie.202403670