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Peer-reviewedCC BYRare Metals

Dehydrogenation Thermodynamic and Kinetic Challenges of Mg‐Ni‐Based Alloy Hydrides

  • Jinglan He1,2
  • Jie Tian1,2
  • Xiaojiang Hou3
  • Yuyang Zhao1,2
  • Wenfeng Li1,2
  • Bolong Huang4
  • Hu Liu1,2
4 affiliations
  1. 1Key Laboratory of Comprehensive and Highly Efficient Utilization of Salt Lake Resources Qinghai Engineering and Technology Research Center of Comprehensive Utilization of Salt Lake Resources Qinghai Institute of Salt Lakes Chinese Academy of Sciences Xining China
  2. 2University of Chinese Academy of Sciences Beijing China
  3. 3School of Materials Science and Engineering Shaanxi Key Laboratory of Green Preparation and Functionalization for Inorganic Materials Shaanxi University of Science and Technology Xi'an China
  4. 4Department of Chemistry City University of Hong Kong Hong Kong China
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Abstract

Solid‐state hydrogen storage stands as a pivotal, safe, and efficient solution for the future hydrogen economy. Among diverse hydrogen storage systems, Mg‐Ni‐based alloy hydrides are recognized as cornerstone materials. However, their practical application is hindered by two core challenges: the high thermodynamic stability of the hydride phase and sluggish reaction kinetics. This review systematically deconstructs various core strategies to address these two bottlenecks. For thermodynamic control, we delve into chemical bond reconstruction through advanced alloying and nanostructure engineering to facilitate low‐temperature dehydrogenation. For kinetic optimization, we trace the evolution process of catalysis, starting from the classic “hydrogen pump” mechanism and the newly unveiled “burst effect,” which lays a foundational framework for the rational design of advanced catalyst systems, including single‐atom, cluster, and nano‐sized catalysts to achieve enhanced kinetic performance. Crucially, this review charts the field's paradigm shift from empirical “trial‐and‐error” modification to targeted “rational design.” We advocate for the integration of frontier tools of high‐throughput computation, in situ characterization, and data‐driven discovery to realize synergistic regulations of both the dehydrogenation thermodynamics and kinetics in Mg‐Ni‐based alloy hydrides.

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Cite

BibTeXRIS
BibTeX
@article{he2026dehydrogenation,
  title = {{Dehydrogenation Thermodynamic and Kinetic Challenges of Mg‐Ni‐Based Alloy Hydrides}},
  author = {Jinglan He and Jie Tian and Xiaojiang Hou and Yuyang Zhao and Wenfeng Li and Bolong Huang and Hu Liu},
  journal = {Rare Metals},
  year = {2026},
  month = jun,
  doi = {10.1002/rar2.70208},
  url = {https://doi.org/10.1002/rar2.70208},
  note = {CC BY},
}
RIS
TY  - JOUR
TI  - Dehydrogenation Thermodynamic and Kinetic Challenges of Mg‐Ni‐Based Alloy Hydrides
AU  - Jinglan He
AU  - Jie Tian
AU  - Xiaojiang Hou
AU  - Yuyang Zhao
AU  - Wenfeng Li
AU  - Bolong Huang
AU  - Hu Liu
PY  - 2026
DA  - 2026/06/01
JO  - Rare Metals
DO  - 10.1002/rar2.70208
UR  - https://doi.org/10.1002/rar2.70208
AB  - Solid‐state hydrogen storage stands as a pivotal, safe, and efficient solution for the future hydrogen economy. Among diverse hydrogen storage systems, Mg‐Ni‐based alloy hydrides are recognized as cornerstone materials. However, their practical application is hindered by two core challenges: the high thermodynamic stability of the hydride phase and sluggish reaction kinetics. This review systematically deconstructs various core strategies to address these two bottlenecks. For thermodynamic control, we delve into chemical bond reconstruction through advanced alloying and nanostructure engineering to facilitate low‐temperature dehydrogenation. For kinetic optimization, we trace the evolution process of catalysis, starting from the classic “hydrogen pump” mechanism and the newly unveiled “burst effect,” which lays a foundational framework for the rational design of advanced catalyst systems, including single‐atom, cluster, and nano‐sized catalysts to achieve enhanced kinetic performance. Crucially, this review charts the field's paradigm shift from empirical “trial‐and‐error” modification to targeted “rational design.” We advocate for the integration of frontier tools of high‐throughput computation, in situ characterization, and data‐driven discovery to realize synergistic regulations of both the dehydrogenation thermodynamics and kinetics in Mg‐Ni‐based alloy hydrides.
SN  - 1001-0521
SN  - 1867-7185
ER  -