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Interfacial Li-vacancy enhances hydrogen storage of nanoscale LiBH4.

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Title: Interfacial Li-vacancy enhances hydrogen storage of nanoscale LiBH4.
Authors: Wang, Shun1 (AUTHOR) wangshun@smbu.edu.cn, Wang, Yunting1,2 (AUTHOR), Zhou, Xiaoye1 (AUTHOR), Liu, Chaojie1 (AUTHOR), Zhu, Yongyang1,3 (AUTHOR) yongyangzhu2016@163.com
Source: Chemical Engineering Journal. May2026, Vol. 536, pN.PAG-N.PAG. 1p.
Subjects: Lithium borohydride, Hydrogen storage, Thermodynamics, Chemical kinetics, Graphene, Fluorination, Crystal defects, Nanostructured materials
Abstract: Nanoengineering has proved effective in tailoring thermodynamics and kinetics of LiBH 4 and improving its (de)hydrogenation under mild conditions. Constructing nanosized LiBH 4 on 2D graphene has been reported to enhance loading efficiency and hydrogen capacity. However, the chemical inertness of graphene makes it hard to alter the intrinsic characteristics of LiBH 4 , leading to limited performance improvement. Moreover, the structural stability of loaded LiBH 4 needs enhancement for longer cycle life. Herein, we develop a fluorinated porous graphene host in which the Li-philic fluorine atoms induce Li vacancies in LiBH 4 , reducing the reaction enthalpy and energy barrier for (de)hydrogenation; meanwhile, LiF formed in-situ acts as an interfacial bridge that stabilizes the nanostructure. An appreciable hydrogen release is achieved below 250 °C, with high capacity retention after 30 cycles. In addition, the porous channels ensure rapid hydrogen diffusion and superior kinetics in the compacted state, yielding a competitive volumetric hydrogen storage density of 76.2 g L−1 that is higher than liquefied hydrogen (~70 g L−1). This work presents feasible schemes for optimizing hydrogen storage performance of LiBH 4 and offers fresh insights on interfacial interaction mechanisms. [Display omitted] • The Li-philic fluorinated porous graphene host induces Li vacancies in LiBH 4. • Li vacancies optimize the (de)hydrogenation thermodynamics and kinetics of LiBH 4. • LiF in-situ formed as the interfacial bridge that stabilizes the nanostructure of LiBH 4. • There is 2.6 wt% H 2 desorbed below 250 °C and ~70% of reversibility after 30 cycles. • A volumetric density of 76.2 g H 2 L−1 is obtained after mechanic compaction. [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.)
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Items – Name: Title
  Label: Title
  Group: Ti
  Data: Interfacial Li-vacancy enhances hydrogen storage of nanoscale LiBH4.
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  Data: <searchLink fieldCode="AR" term="%22Wang%2C+Shun%22">Wang, Shun</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> wangshun@smbu.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Wang%2C+Yunting%22">Wang, Yunting</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zhou%2C+Xiaoye%22">Zhou, Xiaoye</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Liu%2C+Chaojie%22">Liu, Chaojie</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zhu%2C+Yongyang%22">Zhu, Yongyang</searchLink><relatesTo>1,3</relatesTo> (AUTHOR)<i> yongyangzhu2016@163.com</i>
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  Data: <searchLink fieldCode="JN" term="%22Chemical+Engineering+Journal%22">Chemical Engineering Journal</searchLink>. May2026, Vol. 536, pN.PAG-N.PAG. 1p.
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  Data: <searchLink fieldCode="DE" term="%22Lithium+borohydride%22">Lithium borohydride</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrogen+storage%22">Hydrogen storage</searchLink><br /><searchLink fieldCode="DE" term="%22Thermodynamics%22">Thermodynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+kinetics%22">Chemical kinetics</searchLink><br /><searchLink fieldCode="DE" term="%22Graphene%22">Graphene</searchLink><br /><searchLink fieldCode="DE" term="%22Fluorination%22">Fluorination</searchLink><br /><searchLink fieldCode="DE" term="%22Crystal+defects%22">Crystal defects</searchLink><br /><searchLink fieldCode="DE" term="%22Nanostructured+materials%22">Nanostructured materials</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Nanoengineering has proved effective in tailoring thermodynamics and kinetics of LiBH 4 and improving its (de)hydrogenation under mild conditions. Constructing nanosized LiBH 4 on 2D graphene has been reported to enhance loading efficiency and hydrogen capacity. However, the chemical inertness of graphene makes it hard to alter the intrinsic characteristics of LiBH 4 , leading to limited performance improvement. Moreover, the structural stability of loaded LiBH 4 needs enhancement for longer cycle life. Herein, we develop a fluorinated porous graphene host in which the Li-philic fluorine atoms induce Li vacancies in LiBH 4 , reducing the reaction enthalpy and energy barrier for (de)hydrogenation; meanwhile, LiF formed in-situ acts as an interfacial bridge that stabilizes the nanostructure. An appreciable hydrogen release is achieved below 250 °C, with high capacity retention after 30 cycles. In addition, the porous channels ensure rapid hydrogen diffusion and superior kinetics in the compacted state, yielding a competitive volumetric hydrogen storage density of 76.2 g L−1 that is higher than liquefied hydrogen (~70 g L−1). This work presents feasible schemes for optimizing hydrogen storage performance of LiBH 4 and offers fresh insights on interfacial interaction mechanisms. [Display omitted] • The Li-philic fluorinated porous graphene host induces Li vacancies in LiBH 4. • Li vacancies optimize the (de)hydrogenation thermodynamics and kinetics of LiBH 4. • LiF in-situ formed as the interfacial bridge that stabilizes the nanostructure of LiBH 4. • There is 2.6 wt% H 2 desorbed below 250 °C and ~70% of reversibility after 30 cycles. • A volumetric density of 76.2 g H 2 L−1 is obtained after mechanic compaction. [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:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1016/j.cej.2026.176026
    Languages:
      – Code: eng
        Text: English
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      Pagination:
        PageCount: 1
        StartPage: N.PAG
    Subjects:
      – SubjectFull: Lithium borohydride
        Type: general
      – SubjectFull: Hydrogen storage
        Type: general
      – SubjectFull: Thermodynamics
        Type: general
      – SubjectFull: Chemical kinetics
        Type: general
      – SubjectFull: Graphene
        Type: general
      – SubjectFull: Fluorination
        Type: general
      – SubjectFull: Crystal defects
        Type: general
      – SubjectFull: Nanostructured materials
        Type: general
    Titles:
      – TitleFull: Interfacial Li-vacancy enhances hydrogen storage of nanoscale LiBH4.
        Type: main
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      – PersonEntity:
          Name:
            NameFull: Wang, Shun
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            NameFull: Wang, Yunting
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            NameFull: Zhou, Xiaoye
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            NameFull: Liu, Chaojie
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            NameFull: Zhu, Yongyang
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          Dates:
            – D: 15
              M: 05
              Text: May2026
              Type: published
              Y: 2026
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              Value: 536
          Titles:
            – TitleFull: Chemical Engineering Journal
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