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Phase coexistence and hysteresis effects in the pressure-temperature phase diagram of NH3BH3
Umeå University, Faculty of Science and Technology, Department of Physics.
Umeå University, Faculty of Science and Technology, Department of Physics.
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2011 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 84, no 2, 024115- p.Article in journal (Refereed) Published
Abstract [en]

The potential hydrogen storage compound NH3BH3 has three known structural phases in the temperature and pressure ranges 110–300 K and 0–1.5 GPa, respectively. We report here the boundaries between, and the ranges of stability of, these phases. The phase boundaries were located by in situ measurements of the thermal conductivity, while the actual structures in selected areas were identified by in situ Raman spectroscopy and x-ray diffraction. Below 0.6 GPa, reversible transitions involving only small hysteresis effects occur between the room-temperature tetragonal plastic crystal I4mm phase and the low-temperature orthorhombic Pmn21 phase. Transformations of the I4mm phase into the high-pressure orthorhombic Cmc21 phase, occurring above 0.8 GPa, are associated with very large hysteresis effects, such that the reverse transition may occur at up to 0.5 GPa lower pressures. Below 230 K, a fraction of the Cmc21 phase is metastable to atmospheric pressure, suggesting the possibility that dense structural phases of NH3BH3, stable at room temperature, could possibly be created and stabilized by alloying or by other methods. Mixed orthorhombic Pmn21/Cmc21 phases were observed in an intermediate pressure-temperature range, but a fourth structural phase predicted by Filinchuk et al. [ Phys. Rev. B 79 214111 (2009)] was not observed in the pressure-temperature ranges of this experiment. The thermal conductivity of the plastic crystal I4mm phase is about 0.6 W m−1 K−1 and only weakly dependent on temperature, while the ordered orthorhombic phases have higher thermal conductivities limited by phonon-phonon scattering.

Place, publisher, year, edition, pages
American Physical Society , 2011. Vol. 84, no 2, 024115- p.
Keyword [en]
Ammonia borane, NH3BH3, BH3NH3, high pressure, phase transitions, high pressure, phase diagram, hysteresis, phase boundaries, thermal conductivity, specific heat capacity, Raman spectroscopy, X-ray diffraction, tetragonal, orthorhombic
National Category
Condensed Matter Physics
Research subject
URN: urn:nbn:se:umu:diva-45663DOI: 10.1103/PhysRevB.84.024115OAI: diva2:433152
Swedish Research Council, 621-2010-3732
Available from: 2011-08-09 Created: 2011-08-09 Last updated: 2011-08-09Bibliographically approved

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Andersson, OveQuwar, IssamTalyzin, AlexandrSundqvist, Bertil
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