Superior reversible hydrogen storage in eutectic LiBH4–KBH4 system via Ni–based catalysts synergized with graphene

Light metal borohydrides are promising candidates for solid–state hydrogen storage due to their high hydrogen storage capacities; however, the reversibility and kinetics of de/hydrogenation still require significant improvement. The present work focuses on the improvement of the hydrogen storage pro...

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Main Authors: Shanqing Qu, Yaxiong Yang, Mingxia Gao, Zhenglong Li, Wenping Sun, Chu Liang, Xin Zhang, Xiaoyu Zhang, Lingchao Zhang, Ruizi Wang, Hongge Pan
Format: Article
Language:English
Published: Elsevier 2025-06-01
Series:Materials Today Catalysis
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Online Access:http://www.sciencedirect.com/science/article/pii/S2949754X25000183
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author Shanqing Qu
Yaxiong Yang
Mingxia Gao
Zhenglong Li
Wenping Sun
Chu Liang
Xin Zhang
Xiaoyu Zhang
Lingchao Zhang
Ruizi Wang
Hongge Pan
author_facet Shanqing Qu
Yaxiong Yang
Mingxia Gao
Zhenglong Li
Wenping Sun
Chu Liang
Xin Zhang
Xiaoyu Zhang
Lingchao Zhang
Ruizi Wang
Hongge Pan
author_sort Shanqing Qu
collection DOAJ
description Light metal borohydrides are promising candidates for solid–state hydrogen storage due to their high hydrogen storage capacities; however, the reversibility and kinetics of de/hydrogenation still require significant improvement. The present work focuses on the improvement of the hydrogen storage properties of the eutectic borohydride system of LiBH4–KBH4 (Li/KBH4). A layered composite of graphene supported with ultrafine Ni3B nanoparticles (Ni3B/G) is designed and synthesized, which acts as catalyst and confinement carrier for Li/KBH4. Assisted with a heating of the mixture of Li/KBH4 and Ni3B/G to 110 °C in the molten state of Li/KBH4, an interlayer structure of graphene dispersed with Ni3B nanoparticles and sheet–like Li/KBH4 is constructed. The graphene effectively disperses Ni3B nanoparticles and confines the Li/KBH4 in its interlayers. The confinement of Li/KBH4 and the catalysis of Ni3B nanoparticles, assisted with the high thermal conductivity of graphene, contribute synergistically the hydrogen storage of Li/KBH4. The main dehydrogenation peak temperature of the system is lowered to 278 °C. The system can release 8.5 wt% H2 within 30 min at 350 °C. The capacity retention achieves 81.2 % after 50 cycles. DFT theoretical analysis shows that there is strong charge transfer interaction between Ni3B and LiBH4/KBH4, which destabilizes the [BH4]– structure and promotes the dehydrogenation. This work provides a new approach for the design of new structural LiBH4–based eutectic system with high capacity, low dehydrogenation temperature, high reversibility and long cycling life.
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spelling doaj-art-1328d578dfee47dc854f6b1fb0e06fb12025-08-20T03:30:39ZengElsevierMaterials Today Catalysis2949-754X2025-06-01910010510.1016/j.mtcata.2025.100105Superior reversible hydrogen storage in eutectic LiBH4–KBH4 system via Ni–based catalysts synergized with grapheneShanqing Qu0Yaxiong Yang1Mingxia Gao2Zhenglong Li3Wenping Sun4Chu Liang5Xin Zhang6Xiaoyu Zhang7Lingchao Zhang8Ruizi Wang9Hongge Pan10State Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310058, PR ChinaInstitute of Science and Technology for New Energy, Xi’an Technological University, Xi’an 710021, PR ChinaState Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310058, PR China; Corresponding authors.Institute of Science and Technology for New Energy, Xi’an Technological University, Xi’an 710021, PR ChinaState Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310058, PR ChinaZhejiang Carbon Neutral Innovation Institute, Zhejiang University of Technology, Hangzhou 310014, PR ChinaState Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310058, PR ChinaZhejiang Carbon Neutral Innovation Institute, Zhejiang University of Technology, Hangzhou 310014, PR China; Corresponding authors.State Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310058, PR ChinaState Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310058, PR ChinaState Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310058, PR China; Institute of Science and Technology for New Energy, Xi’an Technological University, Xi’an 710021, PR China; Corresponding author at: State Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310058, PR China.Light metal borohydrides are promising candidates for solid–state hydrogen storage due to their high hydrogen storage capacities; however, the reversibility and kinetics of de/hydrogenation still require significant improvement. The present work focuses on the improvement of the hydrogen storage properties of the eutectic borohydride system of LiBH4–KBH4 (Li/KBH4). A layered composite of graphene supported with ultrafine Ni3B nanoparticles (Ni3B/G) is designed and synthesized, which acts as catalyst and confinement carrier for Li/KBH4. Assisted with a heating of the mixture of Li/KBH4 and Ni3B/G to 110 °C in the molten state of Li/KBH4, an interlayer structure of graphene dispersed with Ni3B nanoparticles and sheet–like Li/KBH4 is constructed. The graphene effectively disperses Ni3B nanoparticles and confines the Li/KBH4 in its interlayers. The confinement of Li/KBH4 and the catalysis of Ni3B nanoparticles, assisted with the high thermal conductivity of graphene, contribute synergistically the hydrogen storage of Li/KBH4. The main dehydrogenation peak temperature of the system is lowered to 278 °C. The system can release 8.5 wt% H2 within 30 min at 350 °C. The capacity retention achieves 81.2 % after 50 cycles. DFT theoretical analysis shows that there is strong charge transfer interaction between Ni3B and LiBH4/KBH4, which destabilizes the [BH4]– structure and promotes the dehydrogenation. This work provides a new approach for the design of new structural LiBH4–based eutectic system with high capacity, low dehydrogenation temperature, high reversibility and long cycling life.http://www.sciencedirect.com/science/article/pii/S2949754X25000183Hydrogen storageEutectic dual–cation borohydrideConfinementCatalysisReversibility
spellingShingle Shanqing Qu
Yaxiong Yang
Mingxia Gao
Zhenglong Li
Wenping Sun
Chu Liang
Xin Zhang
Xiaoyu Zhang
Lingchao Zhang
Ruizi Wang
Hongge Pan
Superior reversible hydrogen storage in eutectic LiBH4–KBH4 system via Ni–based catalysts synergized with graphene
Materials Today Catalysis
Hydrogen storage
Eutectic dual–cation borohydride
Confinement
Catalysis
Reversibility
title Superior reversible hydrogen storage in eutectic LiBH4–KBH4 system via Ni–based catalysts synergized with graphene
title_full Superior reversible hydrogen storage in eutectic LiBH4–KBH4 system via Ni–based catalysts synergized with graphene
title_fullStr Superior reversible hydrogen storage in eutectic LiBH4–KBH4 system via Ni–based catalysts synergized with graphene
title_full_unstemmed Superior reversible hydrogen storage in eutectic LiBH4–KBH4 system via Ni–based catalysts synergized with graphene
title_short Superior reversible hydrogen storage in eutectic LiBH4–KBH4 system via Ni–based catalysts synergized with graphene
title_sort superior reversible hydrogen storage in eutectic libh4 kbh4 system via ni based catalysts synergized with graphene
topic Hydrogen storage
Eutectic dual–cation borohydride
Confinement
Catalysis
Reversibility
url http://www.sciencedirect.com/science/article/pii/S2949754X25000183
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