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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]
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Database: Engineering Source
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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]
ISSN:13858947
DOI:10.1016/j.cej.2026.176026