Bath Engineering & Design Studentships: Mechanochemical Synthesis and Modification of Metal–Organic Frameworks for Hydrogen Storage

This project is one of a number in competition for a studentship from the Faculty of Engineering and Design at the University of Bath. If successful, this studentship is expected to commence 04 October 2027.

An alternative start date may be possible if agreed with your intended supervisors and the Doctoral College.

Metal–organic frameworks (MOFs) are crystalline materials whose metal centres and organic linkers form networks of nanoscale pores. Their tunable structures offer opportunities for hydrogen storage and carbon dioxide capture, but conventional synthesis can require large quantities of solvent, elevated temperatures and lengthy processing.

This PhD will investigate how mechanochemical synthesis and modification can produce MOFs with improved gas-storage performance while reducing manufacturing resource demands. It builds on our research into sustainable MOF fabrication [1] and solvent-free metal modification of HKUST-1 [2]. The latter achieved hydrogen uptake of 4.2 wt% at 77 K and 20 bar, a 31% improvement over the unmodified material. The next challenge is to establish how mechanical processing controls the structural and chemical changes responsible for these improvements.

The student will synthesise benchmark MOFs, including HKUST-1 and selected zeolitic imidazolate frameworks (ZIFs), using ball milling. Systematic variation of milling conditions, precursor composition and modification sequence will explore metal substitution, functionalisation and defect formation. The research will examine when these changes improve gas binding and accessible porosity, and when they cause framework damage or pore blockage.

Materials will be characterised using powder X-ray diffraction, FTIR spectroscopy, thermogravimetric analysis, electron microscopy and gas-sorption measurements. Opportunities for specialist X-ray photoelectron spectroscopy training and measurements at the EPSRC National Facility at Harwell will support investigation of surface chemistry and metal oxidation states.

Hydrogen and carbon dioxide adsorption will be measured across different pressures and temperatures to assess uptake, reversibility and cycling stability. Comparisons with conventional synthesis will consider solvent consumption, processing time, energy demand and reproducibility, including washing and activation steps.

The project will establish relationships between processing, framework structure and adsorption behaviour, guiding the design of effective gas-storage materials and more sustainable preparation routes. It aligns with sustainable materials and processes, and the Faculty’s priorities in Advanced materials and devices, Low carbon futures, and Sustainability. The student will gain transferable skills in synthesis, materials characterisation, gas adsorption and critical assessment of manufacturing sustainability.