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One-step metal acetylacetonates catalyst for improved hydrogen storage of MgH2.

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Title: One-step metal acetylacetonates catalyst for improved hydrogen storage of MgH2.
Authors: Chen, Wenqing1 (AUTHOR), Liu, Jia1 (AUTHOR), Liu, Tianshuo1 (AUTHOR), Chen, Xiaowei1 (AUTHOR) chenxiaowei@jmu.edu.cn
Source: Chemical Engineering Journal. Sep2025, Vol. 520, pN.PAG-N.PAG. 1p.
Subjects: Hydrogen storage, Catalysts, Dehydrogenation, Magnesium hydride, Adsorption kinetics, Metal complexes, Density functional theory
Abstract: Solid-state hydrogen storage via MgH 2 offers high volumetric density, safety, and energy efficiency but is hampered by high H 2 desorption temperatures and sluggish kinetics. Although nanostructured catalysts enhance performance, their complex synthesis and instability limit viability. We present a one-step strategy that leverages metal acetylacetonates (M(acac) n) to address these challenges. Combined V(acac) 3 with MgH 2 enables the in situ formation of a highly dispersed V-O-Mg interfacial layer, markedly enhancing H 2 sorption kinetics, achieving an onset dehydrogenation temperature of 170 °C, low temperature H 2 desorption (5.3 wt% at 184 °C) and absorption (4.3 wt% at 24 °C), and excellent cycling stability (95.6 % retention after 100 cycles). Kinetic analysis reveals that dehydrogenation initiates via two-dimensional nucleation-growth and transitions to a temperature-dependent mechanism at high conversion (α > 0.3). Density functional theory indicates that V-induced surface reconstruction and charge redistribution lower the H 2 desorption barrier. Additionally, Zr(acac)₄ and TiO(acac)₂ show similar performance improvements, suggesting a promising pathway for optimizing MgH 2 using metal acetylacetonate-based catalysts. [Display omitted] • One-step V(acac)₃ route creates nanoscale V-O-Mg catalytic interface. • Onset dehydrogenation cut to 170 °C; 5.3 wt% H₂ released at 184 °C. • Rapid uptake: 4.3 wt% at 24 °C and 5.7 wt% in 5 min at 111 °C. • V-induced surface reconstruction and charge redistribution lower desorption barrier. [ABSTRACT FROM AUTHOR]
Copyright of Chemical Engineering Journal is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
An: 187115603
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  Label: Title
  Group: Ti
  Data: One-step metal acetylacetonates catalyst for improved hydrogen storage of MgH2.
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  Data: <searchLink fieldCode="AR" term="%22Chen%2C+Wenqing%22">Chen, Wenqing</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Liu%2C+Jia%22">Liu, Jia</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Liu%2C+Tianshuo%22">Liu, Tianshuo</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Chen%2C+Xiaowei%22">Chen, Xiaowei</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> chenxiaowei@jmu.edu.cn</i>
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  Data: <searchLink fieldCode="JN" term="%22Chemical+Engineering+Journal%22">Chemical Engineering Journal</searchLink>. Sep2025, Vol. 520, pN.PAG-N.PAG. 1p.
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  Data: <searchLink fieldCode="DE" term="%22Hydrogen+storage%22">Hydrogen storage</searchLink><br /><searchLink fieldCode="DE" term="%22Catalysts%22">Catalysts</searchLink><br /><searchLink fieldCode="DE" term="%22Dehydrogenation%22">Dehydrogenation</searchLink><br /><searchLink fieldCode="DE" term="%22Magnesium+hydride%22">Magnesium hydride</searchLink><br /><searchLink fieldCode="DE" term="%22Adsorption+kinetics%22">Adsorption kinetics</searchLink><br /><searchLink fieldCode="DE" term="%22Metal+complexes%22">Metal complexes</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Solid-state hydrogen storage via MgH 2 offers high volumetric density, safety, and energy efficiency but is hampered by high H 2 desorption temperatures and sluggish kinetics. Although nanostructured catalysts enhance performance, their complex synthesis and instability limit viability. We present a one-step strategy that leverages metal acetylacetonates (M(acac) n) to address these challenges. Combined V(acac) 3 with MgH 2 enables the in situ formation of a highly dispersed V-O-Mg interfacial layer, markedly enhancing H 2 sorption kinetics, achieving an onset dehydrogenation temperature of 170 °C, low temperature H 2 desorption (5.3 wt% at 184 °C) and absorption (4.3 wt% at 24 °C), and excellent cycling stability (95.6 % retention after 100 cycles). Kinetic analysis reveals that dehydrogenation initiates via two-dimensional nucleation-growth and transitions to a temperature-dependent mechanism at high conversion (α > 0.3). Density functional theory indicates that V-induced surface reconstruction and charge redistribution lower the H 2 desorption barrier. Additionally, Zr(acac)₄ and TiO(acac)₂ show similar performance improvements, suggesting a promising pathway for optimizing MgH 2 using metal acetylacetonate-based catalysts. [Display omitted] • One-step V(acac)₃ route creates nanoscale V-O-Mg catalytic interface. • Onset dehydrogenation cut to 170 °C; 5.3 wt% H₂ released at 184 °C. • Rapid uptake: 4.3 wt% at 24 °C and 5.7 wt% in 5 min at 111 °C. • V-induced surface reconstruction and charge redistribution lower desorption barrier. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Chemical Engineering Journal is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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    Identifiers:
      – Type: doi
        Value: 10.1016/j.cej.2025.165795
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      – Code: eng
        Text: English
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    Subjects:
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        Type: general
      – SubjectFull: Catalysts
        Type: general
      – SubjectFull: Dehydrogenation
        Type: general
      – SubjectFull: Magnesium hydride
        Type: general
      – SubjectFull: Adsorption kinetics
        Type: general
      – SubjectFull: Metal complexes
        Type: general
      – SubjectFull: Density functional theory
        Type: general
    Titles:
      – TitleFull: One-step metal acetylacetonates catalyst for improved hydrogen storage of MgH2.
        Type: main
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            NameFull: Chen, Wenqing
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            NameFull: Liu, Jia
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            NameFull: Liu, Tianshuo
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            NameFull: Chen, Xiaowei
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          Dates:
            – D: 15
              M: 09
              Text: Sep2025
              Type: published
              Y: 2025
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              Value: 520
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            – TitleFull: Chemical Engineering Journal
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