Stability and decomposition of NaBH₄.
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Martelli, Pascal
Division of Hydrogen & Energy, Department of Mobility, Energy and Environment, EMPA, Dübendorf - Physics Department, University of Fribourg, Switzerland
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Caputo, Riccarda
Division of Hydrogen & Energy, Department of Mobility, Energy and Environment, EMPA, Dübendorf
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Remhof, Arndt
Division of Hydrogen & Energy, Department of Mobility, Energy and Environment, EMPA, Dübendorf
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Mauron, Philippe
Division of Hydrogen & Energy, Department of Mobility, Energy and Environment, EMPA, Dübendorf
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Borgschulte, Andreas
Division of Hydrogen & Energy, Department of Mobility, Energy and Environment, EMPA, Dübendorf
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Züttel, Andreas
Division of Hydrogen & Energy, Department of Mobility, Energy and Environment, EMPA, Dübendorf - Physics Department, University of Fribourg, Switzerland
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Published in:
- The Journal of Physical Chemistry C. - 2010, vol. 114, no. 15, p. 7173-7177
English
We investigate the stability and hydrogen desorption of NaBH₄. Dynamic pcT (pressure, concentration, and temperature) measurements under constant hydrogen flows are used to determine thermodynamic parameters of reaction. From the van’t Hoff equation the enthalpy and entropy of reaction, −108 ± 3 kJ mol⁻¹ of H₂ and 133 ± 3 J K⁻¹ mol⁻¹ of H₂ released, are obtained, respectively. This corresponds to a decomposition temperature of Tdec = 534 ± 10 °C at 1 bar of H₂. The decomposition thereby occurs in one step; i.e., only one plateau is visible in the pressure composition isotherms. Elemental Na is identified as the major solid component in the residue by X-ray diffraction. The experimental results are discussed on the basis of theoretical calculations using the density functional theory approach. Starting from the optimized structure of the cubic α-phase of NaBH₄, we discuss possible decomposition routes involving elemental Na and B as well as Na−H and Na−B binary compounds as residual products.
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Faculty
- Faculté des sciences et de médecine
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Department
- Département de Physique
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Language
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Classification
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Physics
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License
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License undefined
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Identifiers
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Persistent URL
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https://folia.unifr.ch/unifr/documents/301619
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