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Instruments / Technical Area	Publication Details	Published	Actions
I19-Small Molecule Single Crystal Diffraction	Probing the structural and electronic response of Magnus green salt compounds [Pt(NH2R)4][PtCl4] (R=H, CH3) to pressure Jonathan G. Richardson , Helen Benjamin , Stephen A. Moggach , Lisette R Warren , Mark R. Warren , David R. Allan , Lucy K. Saunders , Carole A. Morrison , Neil Robertson Physical Chemistry Chemical Physics DOI: 10.1039/D0CP03280H Diamond Proposal Number(s): [19178] Open Access Show Abstract ▼ Abstract: Despite possessing the desirable crystal packing and short Pt···Pt stacking distances required for a large piezoresistive response, the conductivity-pressure response of the Magnus green salt [Pt(NH3)4][PtCl4] is extremely sluggish. Through a combination of high-pressure X-ray diffraction and hybrid-DFT solid state calculations this study demonstrates that the poor conductivity-pressure response is due to a low volumetric compression anisotropy, a relatively large ambient pressure band gap and a lack of dispersion in the conduction band. Ligand modification (from NH3 to NH2CH3) does not enhance the piezoresistive response, causing even lower anisotropy of the volumetric compression and an unexpected phase transition at above 2 GPa. This study demonstrates that consideration of frontier band dispersion is a key design criterion, alongside crystal packing and Pt···Pt stacking distances for piezoresistive materials.	Jul 2020

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