Hydrogen release from solid state NaBH4

J. Urgnani, F. J. Torres, M. Palumbo, M. Baricco

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Abstract

The aim of this work is the study of the H2 release from the thermal decomposition reaction of sodium tetrahydroboride (NaBH4) in the solid state. Computational and experimental methods have been used. NaBH4 thermodynamic properties at room temperature and its energy of formation from NaH and BH3 have been theoretically studied using a first-principles approach. Results obtained from ab initio calculations compared well with thermodynamic properties assessed by the CALPHAD method. The effect of annealing on phase transformations in NaBH4 has been followed with various experimental analytical techniques and the structure of the samples, after suitable thermal treatments, has been analysed by X-ray diffraction. A multi-step reaction has been observed after annealing, in both isothermal and scanning conditions. The conditions for H2 release from NaBH4 in the solid state have been clarified combining experimental and computational results.

Original languageEnglish (US)
Pages (from-to)3111-3115
Number of pages5
JournalInternational Journal of Hydrogen Energy
Volume33
Issue number12
DOIs
StatePublished - Jun 2008
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Renewable Energy, Sustainability and the Environment
  • Fuel Technology
  • Condensed Matter Physics
  • Energy Engineering and Power Technology

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