KIT | KIT-Bibliothek | Impressum | Datenschutz

Structural and dynamic studies of Pr($^{11}$BH$_{4}$)$_{3}$

Gigante, Angelina; Payandeh, Seyedhosein; Grinderslev, Jakob B.; Heere, Michael 1; Embs, Jan Peter; Jensen, Torben R.; Burankova, Tatsiana; Remhof, Arndt; Hagemann, Hans
1 Institut für Angewandte Materialien – Energiespeichersysteme (IAM-ESS), Karlsruher Institut für Technologie (KIT)


Rare earth borohydrides RE (BH4)(3) are studied in the context of energy storage, lumines-cence and magnetic applications. We have investigated the structural behavior of pra-seodymium borohydride Pr ((BH4)-B-11)(3) containing B-11 isotope because of the previously reported negative thermal expansion. Differential scanning calorimetry (DSC), in-situ var-iable temperature synchrotron radiation powder X-ray diffraction (SR-PXD) and infrared studies reveal that Pr ((BH4)-B-11)(3) undergoes to a volume contraction during the phase tran-sition from alpha alpha-Pr ((BH4)-B-11)(3) to rhombohedral r-Pr ((BH4)-B-11)(3) phase upon heating to 493 K. Surprisingly, the phase transition persists upon cooling at room temperature. Vibrational analysis also shows that the stretching frequency of BH4-3; anion does not change upon heating which indicates that the B-H bond length remains constant during the structural phase transition from alpha-Pr ((BH4)-B-11)(3) to r-Pr ((BH4)-B-11)(3) phase. Additionally, the energy barrier of reorientation motion of the BH4- anion in the alpha-phase was estimated to be ca 23 kJ/mol by quasi-elastic neutron scattering (QENS) and Raman spectroscopy. ... mehr

Verlagsausgabe §
DOI: 10.5445/IR/1000137530
Veröffentlicht am 17.09.2021
DOI: 10.1016/j.ijhydene.2021.06.232
Zitationen: 2
Web of Science
Zitationen: 1
Zitationen: 2
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Angewandte Materialien – Energiespeichersysteme (IAM-ESS)
Publikationstyp Zeitschriftenaufsatz
Publikationsmonat/-jahr 09.2021
Sprache Englisch
Identifikator ISSN: 0360-3199
KITopen-ID: 1000137530
HGF-Programm 38.02.03 (POF IV, LK 01) Batteries in Application
Erschienen in International journal of hydrogen energy
Verlag Elsevier
Band 46
Heft 63
Seiten 32126–32134
Vorab online veröffentlicht am 21.07.2021
Nachgewiesen in Dimensions
Web of Science
KIT – Die Forschungsuniversität in der Helmholtz-Gemeinschaft
KITopen Landing Page