Reactive destabilization and bidirectional catalyzation for reversible hydrogen storage of LiBH4 by novel waxberry-like nano-additive assembled from ultrafine Fe3O4 particles

doi:10.1016/j.jmst.2023.07.020

J. Mater. Sci. Technol. ›› 2024, Vol. 173: 63-71.DOI: 10.1016/j.jmst.2023.07.020

• Research Article • Previous Articles Next Articles

Reactive destabilization and bidirectional catalyzation for reversible hydrogen storage of LiBH₄ by novel waxberry-like nano-additive assembled from ultrafine Fe₃O₄ particles

S. Wang^a,1, M.H. Wu^b,1, Y.Y. Zhu^c,*, Z.L. Li^d, Y.X. Yang^d, Y.Z. Li^e, H.F. Liu^b, M.X. Gao^b,*

^aDepartment of Material Science, Shenzhen MSU-BIT University, Shenzhen 518172, China;
^bState Key Laboratory of Silicon and Advanced Semiconductor Materials & School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, China;
^cInstitute of Resources Utilization and Rare Earth Development, State Key Laboratory of Rare Metals Separation and Comprehensive Utilization, Guangdong Provincial Key Laboratory of Rare Earth Development and Application, Guangdong Academy of Sciences, Guangzhou 510650, China;
^dInstitute of Science and Technology for New Energy, Xi’an Technological University, Xi’an 710021, China;
^eNational Supercomputing Center in Shenzhen, Shenzhen 518055, China

Received:2023-06-04 Revised:2023-07-02 Accepted:2023-07-08 Published:2024-02-20 Online:2023-08-21
Contact: *E-mail addresses: yongyangzhu2016@163.com (Y.Y. Zhu), gaomx@zju.edu.cn (M.X. Gao).
About author:¹These authors contributed equally to this work.

Abstract

Abstract: LiBH₄ containing 18.5 wt.% H₂ is an attractive high-capacity hydrogen storage material, however, it suffers from high operation temperature and poor reversibility. Herein, a novel and low-cost bifunctional additive, waxberry-like Fe₃O₄ secondary nanospheres assembled from ultrafine primary Fe₃O₄ nanoparticles, is synthesized, which exhibits significant destabilization and bidirectional catalyzation towards (de)hydrogenation of LiBH₄. With an optimized addition of 30 wt.% waxberry-like Fe₃O₄, the system initiated dehydrogenation below 100 °C and released a total of 8.1 wt.% H₂ to 400 °C. After 10 cycles, a capacity retention of 70% was achieved, greatly superior to previously reported oxides-modified systems. The destabilizing and catalyzing mechanisms of waxberry-like Fe₃O₄ on LiBH₄ were systematically analyzed by phase and microstructural evolutions during dehydrogenation and hydrogenation cycling as well as density functional theory (DFT) calculations. The present work provides new insights in developing advanced nano-additives with unique structural and multifunctional designs towards LiBH₄ hydrogen storage.

Key words: LiBH₄, Hydrogen storage, Waxberry-like Fe₃O₄, Destabilization, Catalysis

S. Wang, M.H. Wu, Y.Y. Zhu, Z.L. Li, Y.X. Yang, Y.Z. Li, H.F. Liu, M.X. Gao. Reactive destabilization and bidirectional catalyzation for reversible hydrogen storage of LiBH₄ by novel waxberry-like nano-additive assembled from ultrafine Fe₃O₄ particles[J]. J. Mater. Sci. Technol., 2024, 173: 63-71.

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Reactive destabilization and bidirectional catalyzation for reversible hydrogen storage of LiBH₄ by novel waxberry-like nano-additive assembled from ultrafine Fe₃O₄ particles

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