Rotational motion in LiBH4/LiI solid solutions

Pascal Martelli, Arndt Remhof, Andreas Borgschulte, Ralf Ackermann, Thierry Strässle, Jan Peter Embs, Matthias Ernst, Motoaki Matsuo, Shin Ichi Orimo, Andreas Züttel

Research output: Contribution to journalArticlepeer-review

54 Citations (Scopus)

Abstract

We investigated the localized rotational diffusion of the (BH 4)- anions in LiBH4/LiI solid solutions by means of quasielastic and inelastic neutron scattering. The (BH 4)- motions are thermally activated and characterized by activation energies in the order of 40 meV. Typical dwell times between jumps are in the picosecond range at temperatures of about 200 K. The motion is dominated by 90° reorientations around the 4-fold symmetry axis of the tetrahedraly shaped (BH4)- ions. As compared to the pure system, the presence of iodide markedly reduces activation energies and increases the rotational frequencies by more than a factor of 100. The addition of iodide lowers the transition temperature, stabilizing the disordered high temperature phase well below room temperature.

Original languageEnglish
Pages (from-to)5329-5334
Number of pages6
JournalJournal of Physical Chemistry A
Volume115
Issue number21
DOIs
Publication statusPublished - 2011 Jun 2

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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