Abstract
We studied the relationship between proton conductivity and the terahertz-regime vibrations of two-dimensional MOFs. The results of spectroscopy studies clarified the essential role played by the collective motions in the terahertz region in 2D layers for efficient H+ conduction. Ab initio calculations suggested the collective motion to be predominantly determined by the valence electronic structure, depending on the identity of the metal ion.
Highlights
All publication charges for this article have been paid for by the Royal Society of Chemistry
For a-AgI, for example, Ag+ behaves as a liquid and conducts as a consequence of sub-lattice melting with corresponding sub-lattice vibration modes of about 5– 30 cmÀ1.4 For the typical proton (H+) conductors CsHSO4 and BaCeO3, the collective vibration modes of protonic species
H+ conductivity was concluded to be exclusively determined by the terahertz vibration modes in the 2D structures, and the vibration behaviors were concluded to depend on the connectivity of the coordination bonds of metal ions and ligands
Summary
All publication charges for this article have been paid for by the Royal Society of Chemistry. The design and elucidation of ionically conductive paths in solid structures have, been signi cant challenges in relation to these applications.[1] Ion conduction generally proceeds as a result of ions hopping to neighboring coordination sites, followed by local structural relaxation. These processes are o en predominantly determined by lattice vibrations below 10 THz (333 cmÀ1).[2,3] ion conductivity in some representative inorganic materials correlates with the terahertz vibration. H2PO4À was observed to be coordinated to the metal ion axially to form a hydrogen bond network in the ab plane, with the extended H-bonds with H2PO4À motion providing for the long-range hopping of H+
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