Ni9S8/Fe5Ni4S8-mediated reversible catalysis: Enhancing the hydrogen storage performance of MgH2 under mild conditions
- 1College of Materials Science and Engineering, Nanjing Tech University, Nanjing 211816, China
- 2Jiangsu Collaborative Innovation Centre for Advanced Inorganic Function Composites, Nanjing Tech University, Nanjing 211816, China
Abstract
MgH 2 is favored for its high hydrogen storage density (7.6 wt.%), however, its practical application is hindered by stable thermodynamics and sluggish kinetics. Although the introduction of highly active catalysts effectively improves the kinetic performance of MgH 2 , the catalytic mechanism of complex multiphase catalysts remains poorly understood, posing formidable challenges to the rational design of truly reversible catalysts. In this study, a highly-effective reversible catalyst Ni 9 S 8 /Fe 5 Ni 4 S 8 was constructed to extremely enhance both the hydrogen desorption and regeneration capability of MgH 2 . Remarkably, at a mild temperature of 225 °C, MgH 2 Ni 9 S 8 /Fe 5 Ni 4 S 8 rapidly desorbs 4.13 wt.% H 2 in 3000 s. The composite also efficiently absorbs hydrogen at near-ambient temperatures, absorbing 4.0 wt.% H 2 in 7200 s at 45 °C. In contrast, ball‑milled MgH 2 alone hardly releases any hydrogen at 225 °C and shows almost no hydrogen uptake at 45 °C. Detailed studies revealed that the improved hydrogen ab/desorption behavior of Mg/MgH 2 is attributed to the in-situ generation of catalytically active sites (Fe/Mg 2 Ni heterostructures and “hydrogen pump” of Mg 2 Ni/Mg 2 NiH 4 ) during hydrogen cycling. Density functional theory (DFT) calculations revealed that significant electron transfer at the Fe/Mg 2 Ni heterostructure reduces hydrogen absorption capacity, thereby promoting hydrogen ab/desorption processes in Mg/MgH 2 . Concurrently, the Mg 2 Ni/Mg 2 NiH 4 “hydrogen pump” facilitates H transfer. These findings yield deeper insights into the reversibly catalytic function of multiphase catalysts for enhancing metal hydride hydrogen storage.
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BibTeX
@article{chen2026ni9s8fe5ni4s8mediated,
title = {{Ni9S8/Fe5Ni4S8-mediated reversible catalysis: Enhancing the hydrogen storage performance of MgH2 under mild conditions}},
author = {Lingying Chen and Mengran Li and Yahui Jiao and Jiguang Zhang and Rui Xia Shi and Yana Liu and Jun Wang and Yunfeng Zhu},
journal = {Journal of Magnesium and Alloys},
year = {2026},
month = may,
doi = {10.1016/j.jma.2026.102132},
url = {https://doi.org/10.1016/j.jma.2026.102132},
note = {CC BY-NC-ND},
}
RIS
TY - JOUR
TI - Ni9S8/Fe5Ni4S8-mediated reversible catalysis: Enhancing the hydrogen storage performance of MgH2 under mild conditions
AU - Lingying Chen
AU - Mengran Li
AU - Yahui Jiao
AU - Jiguang Zhang
AU - Rui Xia Shi
AU - Yana Liu
AU - Jun Wang
AU - Yunfeng Zhu
PY - 2026
DA - 2026/05/19
JO - Journal of Magnesium and Alloys
DO - 10.1016/j.jma.2026.102132
UR - https://doi.org/10.1016/j.jma.2026.102132
AB - MgH 2 is favored for its high hydrogen storage density (7.6 wt.%), however, its practical application is hindered by stable thermodynamics and sluggish kinetics. Although the introduction of highly active catalysts effectively improves the kinetic performance of MgH 2 , the catalytic mechanism of complex multiphase catalysts remains poorly understood, posing formidable challenges to the rational design of truly reversible catalysts. In this study, a highly-effective reversible catalyst Ni 9 S 8 /Fe 5 Ni 4 S 8 was constructed to extremely enhance both the hydrogen desorption and regeneration capability of MgH 2 . Remarkably, at a mild temperature of 225 °C, MgH 2 Ni 9 S 8 /Fe 5 Ni 4 S 8 rapidly desorbs 4.13 wt.% H 2 in 3000 s. The composite also efficiently absorbs hydrogen at near-ambient temperatures, absorbing 4.0 wt.% H 2 in 7200 s at 45 °C. In contrast, ball‑milled MgH 2 alone hardly releases any hydrogen at 225 °C and shows almost no hydrogen uptake at 45 °C. Detailed studies revealed that the improved hydrogen ab/desorption behavior of Mg/MgH 2 is attributed to the in-situ generation of catalytically active sites (Fe/Mg 2 Ni heterostructures and “hydrogen pump” of Mg 2 Ni/Mg 2 NiH 4 ) during hydrogen cycling. Density functional theory (DFT) calculations revealed that significant electron transfer at the Fe/Mg 2 Ni heterostructure reduces hydrogen absorption capacity, thereby promoting hydrogen ab/desorption processes in Mg/MgH 2 . Concurrently, the Mg 2 Ni/Mg 2 NiH 4 “hydrogen pump” facilitates H transfer. These findings yield deeper insights into the reversibly catalytic function of multiphase catalysts for enhancing metal hydride hydrogen storage.
SN - 2213-9567
ER -