Soft & Crystalline Composite Materials: Developing Total Scattering Workflows for the Interrogation of Structure.

An exciting interdisciplinary project for an enthusiastic student to develop a broad range of expertise, combining the experimental and computationally-based characterisation of advanced composite materials.

Understanding guest behaviour in host porous frameworks is of global importance in numerous fields including water purification, gas storage, and catalysis. Of particular interest is the inclusion of soft materials within porous frameworks to generate composite materials, as these often retain beneficial intrinsic properties of both components. This PhD will develop tools to analyse the structure and dynamics of both framework and guest molecules, proving understanding critical to development of the next generation of functional porous materials.

The project is grounded in the collaborative research of the academic leads Dr Timothy Easun and Dr Alison Paul, who will provide training in the underpinning science around metal-organic frameworks (MOFs), neutron scattering/dynamics, and the use of experimental data to verify molecular models. Working with experts at the STFC ISIS neutron facility and Ada Lovelace Centre, you will develop new analysis workflows in the bespoke Dissolve software to extract accurate structural information from scattering data sets. Testing your protocol developments in proof-of-concept studies, your PhD will demonstrate the potential of neutron scattering experiments in providing atomic resolution structural information for MOF composites.

During this exciting PhD you will spend time at the University of Birmingham, Cardiff University, the Ada Lovelace Centre, and at the ISIS neutron facility. You will develop both experimental and computational skills, learning across a wide range of chemistry and chemical computing. The project will afford you the opportunity to work on all aspects of the research, from material synthesis and advanced characterization techniques to the software development needed to exploit cutting-edge data generated at the ISIS neutron source.

The School of Chemistry at UoB is keen to achieve a gender and diversity balance across the School and welcomes applicants from all backgrounds. Applicants should contact Dr Timothy Easun (t.l.easun@bham.ac.uk) for informal inquiries; please include a CV and cover letter summarising your research interests and previous experience. Formal applications by students eligible for UK “Home” fee status should be made through the University of Birmingham’s online application system.

Funding notes:

This funding is available for UK/Home students. Funding comes from both the University of Birmingham and the Ada Lovelace Centre via the STFC.

References:

Easun et al., Chem. Soc. Rev., 2017, 46, 239-274; Cerasale et al., Nat. Rev. Chem., 2022, 6, 9-30.