Design of a Nanometric AlTi Additive for MgB2-Based Reactive Hydride Composites with Superior Kinetic Properties

Thi Thu Le; Claudio Pistidda; Julián Puszkiel; María Victoria Castro Riglos; Fahim Karimi; Jørgen Skibsted; Seyedhosein Payandeh Gharibdoust; Bo Richter; Thomas Emmler; Chiara Milanese; Antonio Santoru; Armin Hoell; Michael Krumrey; Eike Gericke; Etsuo Akiba; Torben R. Jensen; Thomas Klassen; Martin Dornheim

doi:10.1021/acs.jpcc.8b01850

Design of a Nanometric AlTi Additive for MgB₂-Based Reactive Hydride Composites with Superior Kinetic Properties

Thi Thu Le, Claudio Pistidda, Julián Puszkiel, María Victoria Castro Riglos, Fahim Karimi, Jørgen Skibsted, Seyedhosein Payandeh Gharibdoust, Bo Richter, Thomas Emmler, Chiara Milanese, Antonio Santoru, Armin Hoell, Michael Krumrey, Eike Gericke, Etsuo Akiba, Torben R. Jensen, Thomas Klassen, Martin Dornheim

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27 Citations (Scopus)

Abstract

Solid-state hydride compounds are a promising option for efficient and safe hydrogen-storage systems. Lithium reactive hydride composite system 2LiBH₄ + MgH₂/2LiH + MgB₂ (Li-RHC) has been widely investigated owing to its high theoretical hydrogen-storage capacity and low calculated reaction enthalpy (11.5 wt % H₂ and 45.9 kJ/mol H₂). In this paper, a thorough investigation into the effect of the formation of nano-TiAl alloys on the hydrogen-storage properties of Li-RHC is presented. The additive 3TiCl₃·AlCl₃ is used as the nanoparticle precursor. For the investigated temperatures and hydrogen pressures, the addition of ∼5 wt % 3TiCl₃·AlCl₃ leads to hydrogenation/dehydrogenation times of only 30 min and a reversible hydrogen-storage capacity of 9.5 wt %. The material containing 3TiCl₃·AlCl₃ possesses superior hydrogen-storage properties in terms of rates and a stable hydrogen capacity during several hydrogenation/dehydrogenation cycles. These enhancements are attributed to an in situ nanostructure and a hexagonal AlTi₃ phase observed by high-resolution transmission electron microscopy. This phase acts in a 2-fold manner, first promoting the nucleation of MgB₂ upon dehydrogenation and second suppressing the formation of Li₂B₁₂H₁₂ upon hydrogenation/dehydrogenation cycling.

Original language	English
Pages (from-to)	7642-7655
Number of pages	14
Journal	Journal of Physical Chemistry C
Volume	122
Issue number	14
DOIs	https://doi.org/10.1021/acs.jpcc.8b01850
Publication status	Published - Apr 12 2018
Externally published	Yes

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Energy(all)
Physical and Theoretical Chemistry
Surfaces, Coatings and Films

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10.1021/acs.jpcc.8b01850

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Le, T. T., Pistidda, C., Puszkiel, J., Castro Riglos, M. V., Karimi, F., Skibsted, J., Gharibdoust, S. P., Richter, B., Emmler, T., Milanese, C., Santoru, A., Hoell, A., Krumrey, M., Gericke, E., Akiba, E., Jensen, T. R., Klassen, T., & Dornheim, M. (2018). Design of a Nanometric AlTi Additive for MgB₂-Based Reactive Hydride Composites with Superior Kinetic Properties. Journal of Physical Chemistry C, 122(14), 7642-7655. https://doi.org/10.1021/acs.jpcc.8b01850

Le, TT, Pistidda, C, Puszkiel, J, Castro Riglos, MV, Karimi, F, Skibsted, J, Gharibdoust, SP, Richter, B, Emmler, T, Milanese, C, Santoru, A, Hoell, A, Krumrey, M, Gericke, E, Akiba, E, Jensen, TR, Klassen, T & Dornheim, M 2018, 'Design of a Nanometric AlTi Additive for MgB₂-Based Reactive Hydride Composites with Superior Kinetic Properties', Journal of Physical Chemistry C, vol. 122, no. 14, pp. 7642-7655. https://doi.org/10.1021/acs.jpcc.8b01850

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title = "Design of a Nanometric AlTi Additive for MgB2-Based Reactive Hydride Composites with Superior Kinetic Properties",

abstract = "Solid-state hydride compounds are a promising option for efficient and safe hydrogen-storage systems. Lithium reactive hydride composite system 2LiBH4 + MgH2/2LiH + MgB2 (Li-RHC) has been widely investigated owing to its high theoretical hydrogen-storage capacity and low calculated reaction enthalpy (11.5 wt % H2 and 45.9 kJ/mol H2). In this paper, a thorough investigation into the effect of the formation of nano-TiAl alloys on the hydrogen-storage properties of Li-RHC is presented. The additive 3TiCl3·AlCl3 is used as the nanoparticle precursor. For the investigated temperatures and hydrogen pressures, the addition of ∼5 wt % 3TiCl3·AlCl3 leads to hydrogenation/dehydrogenation times of only 30 min and a reversible hydrogen-storage capacity of 9.5 wt %. The material containing 3TiCl3·AlCl3 possesses superior hydrogen-storage properties in terms of rates and a stable hydrogen capacity during several hydrogenation/dehydrogenation cycles. These enhancements are attributed to an in situ nanostructure and a hexagonal AlTi3 phase observed by high-resolution transmission electron microscopy. This phase acts in a 2-fold manner, first promoting the nucleation of MgB2 upon dehydrogenation and second suppressing the formation of Li2B12H12 upon hydrogenation/dehydrogenation cycling.",

author = "Le, {Thi Thu} and Claudio Pistidda and Juli{\'a}n Puszkiel and {Castro Riglos}, {Mar{\'i}a Victoria} and Fahim Karimi and J{\o}rgen Skibsted and Gharibdoust, {Seyedhosein Payandeh} and Bo Richter and Thomas Emmler and Chiara Milanese and Antonio Santoru and Armin Hoell and Michael Krumrey and Eike Gericke and Etsuo Akiba and Jensen, {Torben R.} and Thomas Klassen and Martin Dornheim",

note = "Funding Information: This research was supported by the European Marie Curie Actions under the ECOSTORE grant agreement number 607040 and by ANPCyT(Agencia Nacional de Promocio{\'n} Cientif{\'i} ca y Tecnologica{\')} PICT 2015 1865. The authors gratefully acknowledge the support from The Danish National Research Foundation, Center for Materials Crystallography (DNRF93), The Innovation Fund Denmark (HyFill-Fast), and the Danish Research Council for Nature and Universe (Danscatt). The authors also thank CONICET (Consejo Nacional de Invetigaciones Cientif{\'i} cas y Te{\'c}nicas), ANPCy-T(Agencia Nacional de Promocio{\'n} Cientif{\'i} ca y Tecnolog{\'-} ica), CNEA (Comisio{\'n} Nacional de Energi{\'a} Atomica){\',} HZB-BESSY II Laboratory (Proposal ID: 20140433), and Dr. Anna-Lisa Chaudhary (Helmholtz-Zentrum Geesthacht). Publisher Copyright: {\textcopyright} 2018 American Chemical Society.",

year = "2018",

month = apr,

day = "12",

doi = "10.1021/acs.jpcc.8b01850",

language = "English",

volume = "122",

pages = "7642--7655",

journal = "Journal of Physical Chemistry C",

issn = "1932-7447",

publisher = "American Chemical Society",

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T1 - Design of a Nanometric AlTi Additive for MgB2-Based Reactive Hydride Composites with Superior Kinetic Properties

AU - Le, Thi Thu

AU - Pistidda, Claudio

AU - Puszkiel, Julián

AU - Castro Riglos, María Victoria

AU - Karimi, Fahim

AU - Skibsted, Jørgen

AU - Gharibdoust, Seyedhosein Payandeh

AU - Richter, Bo

AU - Emmler, Thomas

AU - Milanese, Chiara

AU - Santoru, Antonio

AU - Hoell, Armin

AU - Krumrey, Michael

AU - Gericke, Eike

AU - Akiba, Etsuo

AU - Jensen, Torben R.

AU - Klassen, Thomas

AU - Dornheim, Martin

N1 - Funding Information: This research was supported by the European Marie Curie Actions under the ECOSTORE grant agreement number 607040 and by ANPCyT(Agencia Nacional de Promocioń Cientifí ca y Tecnologica)́ PICT 2015 1865. The authors gratefully acknowledge the support from The Danish National Research Foundation, Center for Materials Crystallography (DNRF93), The Innovation Fund Denmark (HyFill-Fast), and the Danish Research Council for Nature and Universe (Danscatt). The authors also thank CONICET (Consejo Nacional de Invetigaciones Cientifí cas y Tećnicas), ANPCy-T(Agencia Nacional de Promocioń Cientifí ca y Tecnolog-́ ica), CNEA (Comisioń Nacional de Energiá Atomica),́ HZB-BESSY II Laboratory (Proposal ID: 20140433), and Dr. Anna-Lisa Chaudhary (Helmholtz-Zentrum Geesthacht). Publisher Copyright: © 2018 American Chemical Society.

PY - 2018/4/12

Y1 - 2018/4/12

N2 - Solid-state hydride compounds are a promising option for efficient and safe hydrogen-storage systems. Lithium reactive hydride composite system 2LiBH4 + MgH2/2LiH + MgB2 (Li-RHC) has been widely investigated owing to its high theoretical hydrogen-storage capacity and low calculated reaction enthalpy (11.5 wt % H2 and 45.9 kJ/mol H2). In this paper, a thorough investigation into the effect of the formation of nano-TiAl alloys on the hydrogen-storage properties of Li-RHC is presented. The additive 3TiCl3·AlCl3 is used as the nanoparticle precursor. For the investigated temperatures and hydrogen pressures, the addition of ∼5 wt % 3TiCl3·AlCl3 leads to hydrogenation/dehydrogenation times of only 30 min and a reversible hydrogen-storage capacity of 9.5 wt %. The material containing 3TiCl3·AlCl3 possesses superior hydrogen-storage properties in terms of rates and a stable hydrogen capacity during several hydrogenation/dehydrogenation cycles. These enhancements are attributed to an in situ nanostructure and a hexagonal AlTi3 phase observed by high-resolution transmission electron microscopy. This phase acts in a 2-fold manner, first promoting the nucleation of MgB2 upon dehydrogenation and second suppressing the formation of Li2B12H12 upon hydrogenation/dehydrogenation cycling.

AB - Solid-state hydride compounds are a promising option for efficient and safe hydrogen-storage systems. Lithium reactive hydride composite system 2LiBH4 + MgH2/2LiH + MgB2 (Li-RHC) has been widely investigated owing to its high theoretical hydrogen-storage capacity and low calculated reaction enthalpy (11.5 wt % H2 and 45.9 kJ/mol H2). In this paper, a thorough investigation into the effect of the formation of nano-TiAl alloys on the hydrogen-storage properties of Li-RHC is presented. The additive 3TiCl3·AlCl3 is used as the nanoparticle precursor. For the investigated temperatures and hydrogen pressures, the addition of ∼5 wt % 3TiCl3·AlCl3 leads to hydrogenation/dehydrogenation times of only 30 min and a reversible hydrogen-storage capacity of 9.5 wt %. The material containing 3TiCl3·AlCl3 possesses superior hydrogen-storage properties in terms of rates and a stable hydrogen capacity during several hydrogenation/dehydrogenation cycles. These enhancements are attributed to an in situ nanostructure and a hexagonal AlTi3 phase observed by high-resolution transmission electron microscopy. This phase acts in a 2-fold manner, first promoting the nucleation of MgB2 upon dehydrogenation and second suppressing the formation of Li2B12H12 upon hydrogenation/dehydrogenation cycling.

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JF - Journal of Physical Chemistry C

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ER -

Design of a Nanometric AlTi Additive for MgB₂-Based Reactive Hydride Composites with Superior Kinetic Properties

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