Molecular stopwatch measurements of dynamics in catalysts, battery electrolytes and ionic liquids in situ

'Clean growth' and 'Future of mobility' are two challenges in the UK government's industrial strategy. From these challenges are a call for the physical sciences to respond with a better understanding, better predictions and novel ideas in catalysis, battery and fuel cell science at the molecular level. There are many basic, but unanswered questions remaining in these fields. How do molecules react in the pores of Zeolite Catalysts? How does water react at the surface of catalysts to form Hydrogen and Oxygen? What is the mechanism of proton conduction in ionic liquids? Of the many experimental methods available to address these questions, none can easily report on the fastest timescales of molecular motion (femtoseconds), or initiate a reaction fast enough in a heterogeneous catalyst to separate out the earliest steps. This proposal outlines a vision for a UKRI future leaders fellowship to change this by centering on developing and applying new, cutting edge ultrafast IR methods in-situ to answer these key molecular dynamical questions in catalysis, ionic liquids and fuel cell electrolytes. The experiments proposed will reach out to reveal the fastest timescales of the motions and chemical transformations of the key molecules involved - information currently inaccessible to researchers in the field. This information will i) reveal new aspects of the behaviour of these complex molecular systems, ii) provide information that can guide and verify molecular dynamics simulations (one of the best predictive tools available to chemical scientists) and iii) be used as a powerful means of empirically comparing the behavior of different catalysts or electrolytes.

In addition to the academic impact of this proposal, the proposed research aims to make progress in areas of catalysis that contribute to materials/feedstock generation and emissions control, thus contributing toward environmental sustainability and protection. Likewise, better understanding of potential fuel cell and battery electrolytes leading to technological impact is also contributing to sustainability. The proposal is aligned with two of the UK government's industrial challenges - clean growth and future of mobility.

Based at a UKRI-STFC funded national facility and collaborating with interested business (see letter of support from Johnson Matthey), the applicant will be enhancing the research capacity, knowledge and skills of an important national organisation (UKRI-STFC Rutherford Appleton Laboratory) and a global business (Johnson Matthey). As the programme extends from R&D into applications and its aims of industrial relevance, it is expected that R&D investment from business in the research will increase (current offer from JM for relevant projects is staff resource worth approximately £30k per year, see JM letter of support).

Any specific discoveries of industrial relevance will, with the support of UKRI-STFC and industrial partners lead to patents. The CLF at STFC RAL will be in the position to provide general industry access to the non-ip methods and instrumentation developed from this proposal at cost. The CLF will be able to provide the academic community access to the methods and instrumentation developed from this proposal through its peer reviewed, free at the point of access route.