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Thermal polymorphism and decomposition of Y(BH(4))(3)
Dorthe B Ravnsbaek1, Yaroslav Filinchuk, Radovan Cerný
1Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry, University of Aarhus, Langelandsgade 140, DK-8000 Arhus C, Denmark.
Inorganic Chemistry
|March 18, 2010
Summary
Researchers discovered a new polymorph of yttrium borohydride, beta-Y(BH(4))(3), with a cubic ReO(3)-type structure. This new phase forms under hydrogen pressure and decomposes to yttrium hydride and YB(4), indicating potential for reversible hydrogen storage.
Area of Science:
- Materials Science
- Inorganic Chemistry
- Solid-State Chemistry
Background:
- Yttrium borohydride (Y(BH(4))(3)) is a compound with potential applications in hydrogen storage.
- Understanding its structural properties and thermal decomposition is crucial for optimizing its use.
Purpose of the Study:
- To investigate the structure and thermal decomposition of Y(BH(4))(3).
- To identify new polymorphs and decomposition pathways of Y(BH(4))(3).
Main Methods:
- In situ synchrotron radiation powder X-ray diffraction (SR-PXD).
- (11)B Magic Angle Spinning Nuclear Magnetic Resonance (MAS NMR) spectroscopy.
- Thermal analysis (Thermogravimetric Analysis/Differential Scanning Calorimetry).
- Metathesis reaction and ball milling for sample preparation.
Main Results:
- Discovery of a new high-temperature polymorph, beta-Y(BH(4))(3), with cubic ReO(3)-type structure (space group Pm3m).
- The previously reported alpha-Y(BH(4))(3) has a different crystal structure (space group Pa3).
- Beta-Y(BH(4))(3) forms via phase transition from alpha-Y(BH(4))(3) under moderate hydrogen pressure around 180°C.
- Thermal decomposition of beta-Y(BH(4))(3) yields YH(3), then YH(2), and finally YB(4), with an unidentified intermediate Y-B-H compound.
Conclusions:
- Yttrium borohydride exhibits polymorphism with distinct structural and formation characteristics.
- The decomposition pathway suggests boron remains in the solid phase.
- Y(BH(4))(3) shows potential for reversible hydrogen storage due to its decomposition and reformation behavior.
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