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Anion Reorientations in the Superionic Conducting Phase of Na2B12H12

Published

Author(s)

Kristina Verdal, Terrence J. Udovic, Vitalie Stavila, Wan Si NMN Tang, John J. Rush, Alexander V. Skripov

Abstract

Quasielastic neutron scattering (QENS) methods were used to characterize the reorientational dynamics of the dodecahydro-closo-dodecaborate (B12H126u2-^0 anions in the high-temperature, superionic conducting phase of na2B12H6d12^. The icosahedral anions in this disordered cubic phase were found to undergo rapid reorientational motions, on the order of 1011 jumps s-1 above 530 K, consistent with previous NMR measurements and neutron elastic-scattering fixed-window scans. QENS measurement as a function of the neutron momentum transfer suggest a reorientational mechanism dominated by small-angle jumps around a single axis. The results show a relatively low activation energy for orientation of 259 meV (25Kj/mol).
Citation
Journal of Physical Chemistry C
Volume
118
Issue
31

Keywords

Dodecahydro-closo-Dodecaborate Anion, Superionic Conductivity, Hydrogen Storage, Quasielastic Neutron Scattering, Reorientational Dynamics

Citation

Verdal, K. , Udovic, T. , Stavila, V. , Tang, W. , Rush, J. and Skripov, A. (2014), Anion Reorientations in the Superionic Conducting Phase of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub>, Journal of Physical Chemistry C, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=916284 (Accessed February 24, 2024)
Created August 6, 2014, Updated October 12, 2021