University of Leeds
About the Project
Heterogeneous catalysts contribute ~£50 billion to the UK economy and are one of the key technologies to facilitate net-zero CO2 emissions by 2050. Sustainable catalyst design requires reduced dependency on finite noble and transition metals resources and other critical elements. In this project we will explore the use of potassium and calcium, which are abundantly available on Earth and have long been used as heterogeneous catalyst components, for example in the Haber-Bosch process, owing to their ability to influence activity, selectivity, and stability of catalysts. Despite their importance, limited attention has been given to them in the context of catalyst innovation for a net-zero fuel economy. Catalysts containing potassium and calcium compounds will be investigated to establish how the molecular structure and chemical state of potassium/calcium relate to their activity for the sustainable production of fuels. Data for activity, molecular structure and chemical composition will be correlated to inform advanced theoretical modelling required for a rational design of sustainable fuel production.
This project is an opportunity for an early career researcher to train with the latest generation of advanced X-ray characterisation techniques, through which we can expect to pinpoint the relevant molecular processes taking place in real catalysts under practical conditions. At the core of this PhD will be the use of near-ambient pressure X-ray photoelectron spectroscopy (NAP XPS) to generate an initial understanding of potassium and calcium speciation in practical nanoparticle/single-atom noble metal catalysts and in solid super-bases. Catalysts for the water-gas shift (WGS) and Guerbet reactions will be studied, which are both important for the development of sustainable hydrocarbon fuels. This work will be based in the Sir Henry Royce NAP XPS facility at the University of Leeds and at Diamond Light Source. It will be complemented by other advanced X-ray techniques at Leeds and Diamond. Together they will determine the electronic (chemical) and geometric structure of potassium and calcium.
The PhD studentship is embedded with a team of researchers across the University of Leeds (theoretical modelling), Diamond Light Source (advanced X-ray characterisation) and the University of Loughborough (catalyst synthesis, catalyst testing, pre-characterisation by vibrational spectroscopy, electron microscopies and X-ray diffraction). The project builds on strategic national investments in X-ray characterisation infrastructure at Diamond Light Source, the Henry Royce Institute and at the European Synchrotron Radiation Facility. It will benefit from engagement of a leading UK catalyst manufacturer.
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