Structural and dynamic studies of Pr(11BH4)3
| Autor: | Tatsiana Burankova, Jakob B. Grinderslev, Jan Peter Embs, Seyedhosein Payandeh, Angelina Gigante, Torben R. Jensen, Michael Heere, Hans Hagemann, Arndt Remhof |
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| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Vibrational spectroscopy
Phase transition Technology Materials science Renewable Energy Sustainability and the Environment Praseodymium SR-PXD Analytical chemistry Energy Engineering and Power Technology chemistry.chemical_element Neutron scattering Condensed Matter Physics Negative thermal expansion Rare earth borohydrides Bond length symbols.namesake Fuel Technology Differential scanning calorimetry chemistry Phase (matter) QENS symbols Raman spectroscopy ddc:600 |
| Zdroj: | Gigante, A, Payandeh, S, Grinderslev, J B, Heere, M, Embs, J P, Jensen, T R, Burankova, T, Remhof, A & Hagemann, H 2021, ' Structural and dynamic studies of Pr( 11 BH 4 ) 3 ', International Journal of Hydrogen Energy, vol. 46, no. 63, pp. 32126-32134 . https://doi.org/10.1016/j.ijhydene.2021.06.232 International journal of hydrogen energy, 46 (63), 32126–32134 |
| ISSN: | 0360-3199 |
| DOI: | 10.1016/j.ijhydene.2021.06.232 |
| Popis: | Rare earth borohydrides RE (BH4)3 are studied in the context of energy storage, luminescence and magnetic applications. We have investigated the structural behavior of praseodymium borohydride Pr (11BH4)3 containing 11B isotope because of the previously reported negative thermal expansion. Differential scanning calorimetry (DSC), in-situ variable temperature synchrotron radiation powder X-ray diffraction (SR-PXD) and infrared studies reveal that Pr (11BH4)3 undergoes to a volume contraction during the phase transition from alpha α-Pr (11BH4)3 to rhombohedral r-Pr (11BH4)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− anion does not change upon heating which indicates that the B–H bond length remains constant during the structural phase transition from α-Pr (11BH4)3 to r-Pr (11BH4)3 phase. Additionally, the energy barrier of reorientation motion of the BH4− anion in the α-phase was estimated to be ca 23 kJ/mol by quasi-elastic neutron scattering (QENS) and Raman spectroscopy. |
| Databáze: | OpenAIRE |
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