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Probing the structural and electronic response of Magnus green salt compounds [Pt(NH2R)4][PtCl4] (R=H, CH3) to pressure

DOI: 10.1039/D0CP03280H DOI Help

Authors: Jonathan G. Richardson (University of Edinburgh) , Helen Benjamin (University of Edinburgh) , Stephen A. Moggach (University of Edinburgh) , Lisette R Warren (University of Edinburgh) , Mark R. Warren (Diamond Light Source) , David R. Allan (Diamond Light Source) , Lucy K. Saunders (Diamond Light Source) , Carole A. Morrison (University of Edinburgh) , Neil Robertson (University of Edinburgh)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Chemistry Chemical Physics

State: Published (Approved)
Published: July 2020
Diamond Proposal Number(s): 19178

Open Access Open Access

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.

Subject Areas: Chemistry, Materials

Instruments: I19-Small Molecule Single Crystal Diffraction