Hydrogen release from solid state NaBH4

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

doi:10.1016/j.ijhydene.2008.03.031

Hydrogen release from solid state NaBH₄

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

^*Corresponding author for this work

INSTM

Research output: Contribution to journal › Article › peer-review

150 Scopus citations

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 language	English
Pages (from-to)	3111-3115
Number of pages	5
Journal	International Journal of Hydrogen Energy
Volume	33
Issue number	12
DOIs	https://doi.org/10.1016/j.ijhydene.2008.03.031
State	Published - Jun 2008
Externally published	Yes

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

Keywords

Ab initio calculations
Calphad
NaBH
Sodium tetrahydroboride
Thermal decomposition

Access to Document

10.1016/j.ijhydene.2008.03.031

Cite this

@article{1089734b6b9b4bd49f02a8162e86b7af,

title = "Hydrogen release from solid state NaBH4",

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.",

keywords = "Ab initio calculations, Calphad, NaBH, Sodium tetrahydroboride, Thermal decomposition",

author = "J. Urgnani and Torres, \{F. J.\} and M. Palumbo and M. Baricco",

note = "Funding Information: This work was performed for the Project of Regione Piemonte “Innovative materials for hydrogen storage” and the MC-RTN Project COSY “Complex Solid State Reactions for Energy Efficient Hydrogen Storage”. J.U. and F.J.T. acknowledge Regione Piemonte for financial support. The authors would like to thank Piero Ugliengo for his fruitful comments.",

year = "2008",

month = jun,

doi = "10.1016/j.ijhydene.2008.03.031",

language = "Ingl{\'e}s",

volume = "33",

pages = "3111--3115",

journal = "International Journal of Hydrogen Energy",

issn = "0360-3199",

publisher = "Elsevier Ltd",

number = "12",

}

TY - JOUR

T1 - Hydrogen release from solid state NaBH4

AU - Urgnani, J.

AU - Torres, F. J.

AU - Palumbo, M.

AU - Baricco, M.

N1 - Funding Information: This work was performed for the Project of Regione Piemonte “Innovative materials for hydrogen storage” and the MC-RTN Project COSY “Complex Solid State Reactions for Energy Efficient Hydrogen Storage”. J.U. and F.J.T. acknowledge Regione Piemonte for financial support. The authors would like to thank Piero Ugliengo for his fruitful comments.

PY - 2008/6

Y1 - 2008/6

N2 - 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.

AB - 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.

KW - Ab initio calculations

KW - Calphad

KW - NaBH

KW - Sodium tetrahydroboride

KW - Thermal decomposition

UR - https://www.scopus.com/pages/publications/45349096846

U2 - 10.1016/j.ijhydene.2008.03.031

DO - 10.1016/j.ijhydene.2008.03.031

M3 - Artículo

AN - SCOPUS:45349096846

SN - 0360-3199

VL - 33

SP - 3111

EP - 3115

JO - International Journal of Hydrogen Energy

JF - International Journal of Hydrogen Energy

IS - 12

ER -