Unravelling the effects of dynamics on catalysis in porous materials through advanced NMR spectroscopy

About the Project

More efficient catalytic and separation processes that require less energy and enable the sustainable utilisation of small molecules and chemical feedstocks are essential for achieving net zero and reducing the environmental impact of modern industry. Functional porous materials such as zeolites and metal-organic frameworks (MOFs) are central to these challenges, but their performance is governed by molecular transport and dynamics within complex pore networks that are still not fully understood.

The overall aim of this PhD project is to develop and apply advanced NMR spectroscopy to obtain a quantitative understanding of mass transport, adsorption, and molecular dynamics in state-of-the-art porous materials. The focus will be on determining how pore topology, framework composition, active site distributions, and hierarchical porosity control the diffusion of guest molecules relevant to catalysis and separations. Dynamics and transport are increasingly recognised as critical factors in determining catalytic efficiency, selectivity, and stability.

This project, which is a collaboration between the Department of Chemistry and the Department of Chemical Engineering, will make extensive use of Pulsed Field Gradient (PFG) NMR spectroscopy to measure molecular diffusion under realistic conditions, providing direct insight into intracrystalline transport, shape selectivity, and mass-transfer limitations. These measurements will be combined with Magic-Angle Spinning (MAS) solid-state NMR spectroscopy to characterise framework composition, active-site environments, and adsorbate dynamics at the atomic scale. Variable-temperature and in situ experiments will be employed to link molecular motion to interaction strengths and framework flexibility.

The student will have access to world-leading NMR facilities at The University of Manchester, including the EPSRC- and University-funded 700 MHz solid/solution NMR spectrometer and the UK Dynamic Nuclear Polarisation (DNP) MAS NMR Facility. These resources enable high-sensitivity, high-resolution NMR measurements of porous solids and adsorbed molecules. The project will also benefit from close links to complementary techniques, including neutron scattering and advanced computational modelling, providing a rich, multidisciplinary research environment.

A rigorous approach will be taken in which porous frameworks are systematically modified, for example through compositional tuning, metal substitution, or controlled defect introduction, and then characterised using conventional methods alongside advanced NMR spectroscopy. Diffusion measurements will be correlated with local structural information to establish clear structure-dynamics-function relationships. Depending on the interests and background of the student, the project may also involve complementary computational modelling and quantum chemical calculations.

This PhD will provide outstanding training in advanced NMR methodology, materials characterisation, and the study of molecular dynamics in complex solids. The knowledge gained will contribute directly to the rational design of next-generation porous materials for sustainable catalysis and separations, addressing key challenges in energy, chemicals, and environmental technologies. The PFG and MAS NMR spectroscopies will be conducted under the supervision of Prof Mathias Nilsson and Dr Daniel Lee, respectively.

This is a four-year PhD for self-funded students, with applications accepted year-round. We are looking for students with a strong chemistry (or related) background who enjoy careful problem-solving and are curious about combining lab-based measurement with computational analysis. Prior experience with NMR and/or programming (Python, MATLAB, or similar) is welcome but not required – training and support will be provided.

Eligibility

Applicants should have, or expect to achieve, at least a 2.1 honours degree or a master’s (or international equivalent) in a relevant science or engineering related discipline.

Funding

This is a self funded project.

At Manchester we offer a range of scholarships, studentships and awards at university, faculty and department level, to support both UK and overseas postgraduate researchers applying for competition and self-funded projects.

For more information, visit our funding page or search our funding database for specific scholarships, studentships and awards you may be eligible for.

We recommend that you apply early as the advert may be removed before the deadline.

Before you apply

We strongly recommend that you contact the supervisors for this project before you apply. Please include details of your current level of study, academic background and any relevant experience and include a paragraph about your motivation to study this PhD project.

How to apply

Apply online through our website: https://uom.link/pgr-apply-2425

When applying, you’ll need to specify the full name of this project, the name of your supervisor, if you already having funding or if you wish to be considered for available funding through the university, details of your previous study, and names and contact details of two referees.

Your application will not be processed without all of the required documents submitted at the time of application, and we cannot accept responsibility for late or missed deadlines. Incomplete applications will not be considered.

After you have applied you will be asked to upload the following supporting documents:

• Final Transcript and certificates of all awarded university level qualifications
• Interim Transcript of any university level qualifications in progress
• CV
• Supporting statement: A one or two page statement outlining your motivation to pursue postgraduate research and why you want to undertake postgraduate research at Manchester, any relevant research or work experience, the key findings of your previous research experience, and techniques and skills you’ve developed. (This is mandatory for all applicants and the application will be put on hold without it).
• Contact details for two referees (please make sure that the contact email you provide is an official university/work email address as we may need to verify the reference)
• English Language certificate (if applicable)

If you have any questions about making an application, please contact our admissions team by emailing FSE.doctoralacademy.admissions@manchester.ac.uk.