Investigation of proton dynamics and the proton transport pathway in choline dihydrogen phosphate using solid-state NMR

Cahill, Lindsay S., Rana, Usman Ali, Forsyth, Maria and Smith, Mark E. 2010, Investigation of proton dynamics and the proton transport pathway in choline dihydrogen phosphate using solid-state NMR, Physical chemistry chemical physics, vol. 12, no. 20, pp. 5431-5438.

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Title Investigation of proton dynamics and the proton transport pathway in choline dihydrogen phosphate using solid-state NMR
Author(s) Cahill, Lindsay S.
Rana, Usman Ali
Forsyth, Maria
Smith, Mark E.
Journal name Physical chemistry chemical physics
Volume number 12
Issue number 20
Start page 5431
End page 5438
Publisher Royal Society of Chemistry
Place of publication Cambridge, England
Publication date 2010
ISSN 1463-9076
1463-9084
Summary Choline dihydrogen phosphate has previously been shown to be a good ionic conductor as well as an excellent host for acid doping, leading to high proton conductivities required for e.g., electrochemical devices including proton membrane fuel cells and sensors. A combination of variable-temperature 1H solid-state NMR and 2D NMR pulse sequences, including 31P and 13C CODEX and 1H BaBa, show that the proton conduction mechanism primarily involves assisted transport via a restricted three-site motion of the phosphate unit around the P–O bond that is hydrogen bonded to the choline and exchange of protons between these anions. In other words, proton transport at ambient temperatures appears to occur most favorably along the crystallographic b axis, from phosphate dimer to dimer. At elevated temperatures exchange between the protons of the hydroxyl group on the choline cation and the hydrogen-bonded dihydrogen phosphate groups also contributes to the structural diffusion of the protons in this solid state conductor.
Language eng
Field of Research 020406 Surfaces and Structural Properties of Condensed Matter
030607 Transport Properties and Non-equilibrium Processes
091205 Functional Materials
Socio Economic Objective 850401 Fuel Cells (excl. Solid Oxide)
HERDC Research category C1.1 Refereed article in a scholarly journal
Copyright notice ©2010, Owner Societies
Persistent URL http://hdl.handle.net/10536/DRO/DU:30031049

Document type: Journal Article
Collection: Institute for Technology Research and Innovation
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Created: Thu, 04 Nov 2010, 09:54:08 EST by Leanne Swaneveld

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