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Ammonia borane reaction with a BN nanotube: a hydrogen storage route

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Abstract

Density functional theory was employed to investigate the interaction of an ammonia borane (AB) molecule with the surface of a zigzag boron nitride nanotube (BNNT). It was found that AB can be either weakly adsorbed on the surface of the nanotube via its hydrogen atoms or strongly react with the tube surface along with dehydrogenation of AB and chemical functionalization (CF) of the nanotube. Interaction energies for physisorption and CF were found to be about −11.7 and −62.7 kJ/mol, respectively. It was concluded that BNNTs are solid state hydrogen storage materials in the presence of AB.

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Authors and Affiliations

  1. Central Tehran Branch, Islamic Azad University, Tehran, Iran

    Afagh Samiei

  2. Young Researchers and Elite club, Central Tehran Branch, Islamic Azad University, Tehran, Iran

    Ali Ahmadi Peyghan

  3. Technical Vocational University, Yaftabad, Tehran, Iran

    Saeed Amir Aslanzadeh

Authors
  1. Ali Ahmadi Peyghan
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  2. Saeed Amir Aslanzadeh
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  3. Afagh Samiei
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Correspondence to Ali Ahmadi Peyghan.

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Peyghan, A.A., Aslanzadeh, S.A. & Samiei, A. Ammonia borane reaction with a BN nanotube: a hydrogen storage route. Monatsh Chem 145, 1083–1087 (2014). https://doi.org/10.1007/s00706-014-1173-1

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  • DOI: https://doi.org/10.1007/s00706-014-1173-1

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