REvolutionising the use of coherent x-ray diffraction for structural crystallography Applied to CaTalysis

Heterogeneous (electro-, photo-) catalysis is at the heart of our modern chemical industry, driving 90% of chemical manufacturing processes. Key challenges include measuring reaction kinetics, identifying intermediates and bridging the “pressure” and “materials” gaps. To study the behaviour of individual nanocatalysts involved in chemical reactions, I will develop new, faster structural and chemical characterisation systems and state-of-the-art in situ monitoring techniques to address catalytic problems. The REACT project will revolutionise our understanding of near-industrial catalysis by overcoming current limitations in pressure and materials science by integrating fast in situ non-invasive three-dimensional imaging of single catalysts with spectroscopy to achieve 3D nanospectroscopic imaging during catalysis. This innovative method will operate at high temperature, pressure and in complex environments, providing atomic resolution and high temporal precision. Taking advantage of 4th generation synchrotron sources, new revolutionary charge-integrating detectors and my recognised expertise in synchrotron coherent X-ray diffraction microscopy, the project will enable 3D study of both the chemistry and structure of nanocatalysts under realistic reaction conditions with unprecedented spatial, temporal and energy resolution, to identify reaction intermediates during catalysis for a deeper understanding of the phenomena critical to nanocatalysis: activity, selectivity, reusability and sustainability. Experiment is nothing without simulation. We will use state-of-the-art atomistic capabilities developed by AI to reveal the full dynamics of catalytic mechanisms, setting a new standard in the integration of computational and experimental sciences. My project will shed light on the most relevant unsolved issues (durability, activity, ...) that limit the efficiency of today's processes and will open new horizons with outstanding impact in catalytic research.