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• W3004285458 endingPage "115240" @default.
• W3004285458 startingPage "115240" @default.
• W3004285458 abstract "This study deals with the charge transport by protons over hydrogen bonds (HBs) in a rockbridgeite-type compound, Fe2+Fe3+3.2(Mn2+,Zn)0.8(PO4)3(OH)4.2(HOH)0.8. Its dielectric response in a wide frequency range of 1 Hz – 3 GHz from 30 K to 500 K can be traced back to structural properties of this phosphatic oxyhydroxide, revealed by Rietveld refinements using neutron powder diffraction data. The probable charge transport paths for protons are proposed, based on the honeycomb-like distribution of their neutron scattering length densities reconstructed by the Maximum-Entropy Method. Two distinctly decoupled proton dynamic processes occur in this system: at high temperatures, global protonic transport is thermally activated over an energy barrier (EB) of 0.49 eV, showing a dc conductivity (σdc) value of about 10-4 Ω-1 cm-1 at 500 K. The temperature-dependency of σdc becomes weaker at decreased temperatures, indicating the possible onset of proton tunneling-dominated charge transport. At low temperatures, relaxational proton hopping within double-well potentials in HBs is thermally activated with EB = 0.62 eV. An extremely fast relaxation time of ~50 ps at 250 K continuously slows down to ~1 ms at 150 K, pointing to the approach of an orientational proton-glass state at about 125 K. Isosurfaces of bond valence energy landscape maps of H+ at 0.49 eV clearly evidence the honeycomb-shaped route for the protonic conductivity at 393 K." @default.
• W3004285458 created "2020-02-07" @default.
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• W3004285458 date "2020-04-01" @default.
• W3004285458 modified "2023-09-29" @default.
• W3004285458 title "Charge transport by global protonic conductivity and relaxational dynamics over hydrogen bonds in Fe2+Fe3+3.2(Mn2+,Zn)0.8(PO4)3(OH)4.2(HOH)0.8" @default.
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• W3004285458 doi "https://doi.org/10.1016/j.ssi.2020.115240" @default.
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