Investigating new photoactive ferroelectrics using dynamic X-ray diffraction techniques Josh Morris and Lauren Hatcher Cardiff University, UK The generation of renewable, cheap energy via the realisation of solar energy capture (SEC) materials is key to mitigating some of the effects of our current worsening climate. We are developing a range of novel ferroelectric solar energy capture materials, whose function arises from thermally-induced spin-crossover (SCO), linkage photoisomerism (LI) 1 or charge-transfer-induced spin-transitions (CTIST). Structure:function relationships in SCO and LI materials is not well understood, with competing ideas having been put forth to explain experimental results. To further our understanding of these materials, we have synthesised SCO materials based on Fe(bis(pyrazol-1-yl)pyridine) complexes, LI materials based on modified sodium nitroprusside analogues, and CTIST materials based on functionalised Co-Fe Prussian Blue Analogues (PBAs). Single-crystal structures, PXRD patterns, and dielectric data in particular have been collected across this range of SEC materials under a range of stimuli to explore their potential for applications. 2 These materials are designed to undergo a phase-transitions as a result of their interaction with external stimuli, ideally generating ferroelectric phases by inducing polar organic cation alignment in LI- and CTIST-active frameworks, or causing a symmetry change in SCO complexes. In addition to continuing our study of electric field induced polar cation alignment in SNP analogues, we are conducting further SCXRD and computational experiments to determine how the constituent moieties of each materials imparts an effect on the observed phase-transition temperature and behaviour. References 1. Journal of the American Chemical Society 119 , 11, 2669-2678, (1997) 2. J. Appl. Cryst. 54 , 1349-1359, (2021
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