Next-generation hyperpolarising agents for NMR Spectroscopy

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EPSRC Research Areas relevant to the project:Analytical science; Carbon capture and storage; Catalysis; Functional ceramics and inorganics; Graphene and carbon nanotechnology; Surface science.High-field dynamic nuclear polarisation (DNP) is revolutionising nuclear magnetic resonance (NMR) spectroscopy of solids owing to the associated hyperpolarisation of nuclear spins leading to orders of magnitude of signal enhancements. However, DNP is not widely applicable, particularly for higher temperatures (>100 K) and for environment-sensitive analytes such as zeolite catalysts and advanced porous adsorbents for gas capture and conversion. This project would uniquely combine expertise at Manchester in materials science, EPR, and DNP-NMR. Currently, hyperpolarising agents for DNP are expensive organic radicals that are added exogenously to an analyte. This requires dispersion in a (frozen) solution to ensure a homogeneous distribution. However, this project proposes a paradigm shift in that the analyte would be deposited on an optimised 2D material that contains electron spins with controlled properties. Along with the ease of sample preparation, the lack of added solvent would facilitate sample characterisation in a "natural" state and enable experiments at higher temperatures - a current Holy Grail for DNP-NMR. Moreover, this work could be extended to various other fields such as for biomolecular studies as well as for enhanced MRI. This project would thus lead to patents, as well as publications, and enable an atomic-scale understanding of reaction mechanisms in heterogenous catalysis.