Charge compensation of entrapped organic cations in zeolites

Organic Structure Directing Agents (OSDAs) play a central role in synthesis of zeolites. Typically, OSDAs consist in tetraalkylammonium cations that are trapped inside of the voids of zeolites. The positive charge of the occluded cations is compensated i) by the isomorphic substitution of Si atoms by trivalent atoms resulting inā€¦

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Catalysis for Late-Stage Functionalisation

Directing groups have become pivotal in controlling the stereo- and regiochemistry of transition metal catalysed Cā€“H activation and olefin difunctionalisation reactions. Regiocontrol in these reactions is generally achieved through formation of a stable, five-membered palladacycle. However, the less stable 6ā€‘membered palladacycles can be accessed in Pd(II)-catalysed alkene functionalisation through theā€¦

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Data-driven approaches to homogeneous catalysis

With the goal of identifying homogeneous catalysts with improved activity or selectivity, we exploit physical organic concepts, statistical learning techniques and optimization algorithms. We demonstrate how these approaches could be used independently or in tandem within automated workflows. We focus on both prototypical classes of reactions and challenging organic processesā€¦

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Mechanochemical and mechanocatalytic reactions in ball mills

Mechanochemical synthesis allows in various cases the synthesis of materials which are otherwise difficult to access or complex to synthesize, such as rare earth metal hydrides, corundum with high surface areas, or supported metal catalysts. For such studies, milling vessels were equipped with various additional features, such as cryo-capabilities andā€¦

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Directing catalytic reactions at solid-liquid interfaces: Using renewable and recycled carbon to make platform chemicals

Chemical transformations of alternative carbon-based materials, such as non-volatile biomass and waste plastic, are strongly influenced by the partitioning of reactants, intermediates, products, and spectator molecules (including the solvent) between the bulk liquid phase and the surfaces or pore spaces ofĀ solid catalysts. The relative affinities of the reacting molecules forā€¦

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Confined Catalysis of Small Molecules in Porous Materials

We develop new porous materials based upon metal-organic frameworks and zeolites for applications in clean-air technology, catalysis, biomass conversion, separation and conductivity. Our key research interest is to investigate the host-guest binding underpinning their property and catalytic activity using state-of-the-art structural and dynamic studies by synchrotron X-ray diffraction, spectroscopy andā€¦

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Research Fellow in Computational Modelling of Heterogeneous Catalysis (fixed term)

Metal Atoms on Surfaces and Interfaces (MASI) is a large-scale multidisciplinary project spearheaded by four UK universities (Nottingham, Cardiff, Cambridge, and Birmingham) simultaneously addressing two grand challenges: sustainable use of metals and low-carbon technologies. The project is motivated by natural (limited resource of critical metals) and anthropogenic (overpopulation, global warming)ā€¦

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