Unlocking ultrafast hydrogen sorption kinetics in Mg alloys via in-situ disproportionation of Mg12Nd into catalytic nano-NdHx

Chenlu Wang; Wenchao Cao; Xiangfeng Ma; Jiahao Cao; Xin Ding; Qiang Song; Ruirun Chen

doi:10.1016/j.ijhydene.2026.155461

Unlocking ultrafast hydrogen sorption kinetics in Mg alloys via in-situ disproportionation of Mg₁₂Nd into catalytic nano-NdH_x

Chenlu Wang
, Wenchao Cao^*
, Xiangfeng Ma
, Jiahao Cao
, Xin Ding
, Qiang Song
, Ruirun Chen^*

^*Corresponding author for this work

School of Materials Science and Engineering

Shandong University of Science and Technology
Harbin Institute of Technology
Tianjin University of Science & Technology

Research output: Contribution to journal › Article › peer-review

Abstract

Mg-based hydrogen storage materials suffer from sluggish kinetics and capacity degradation. This study employs micro-scale Nd doping in Mg_100-xNd_x (x = 0-1.6 at.%) to investigate microstructural evolution and performance enhancement. Increased Nd content refines grain size and forms continuous Mg₁₂Nd phases along grain boundaries. The Mg_98.4Nd_1.6 composition exhibits optimal kinetics: at 375 °C, hydrogenation reaches 6.73 wt% in 60 min, and dehydrogenation achieves 6.47 wt% in 9 min. During initial hydrogenation, Mg₁₂Nd disproportionates into nanoscale NdH_x and MgH₂, reducing the dehydrogenation activation energy to 101.8 kJ/mol. The hydrogen pumping effect of NdH_x lowers H₂ dissociation and diffusion barriers and pins grain boundaries, inhibiting Mg coarsening. These effects collectively result in excellent kinetics and stable hydrogen storage capacity.

Original language	English
Article number	155461
Journal	International Journal of Hydrogen Energy
Volume	241
DOIs	https://doi.org/10.1016/j.ijhydene.2026.155461
State	Published - 10 Jun 2026

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

Keywords

Cycling performance
Hydrogen absorption/desorption kinetics
Hydrogen storage alloy
Microstructure evolution
Nano-catalytic phase

Access to Document

10.1016/j.ijhydene.2026.155461

Cite this

@article{a8620174bd5147e98b192a0be7374b0c,

title = "Unlocking ultrafast hydrogen sorption kinetics in Mg alloys via in-situ disproportionation of Mg12Nd into catalytic nano-NdHx",

abstract = "Mg-based hydrogen storage materials suffer from sluggish kinetics and capacity degradation. This study employs micro-scale Nd doping in Mg100-xNdx (x = 0-1.6 at.\%) to investigate microstructural evolution and performance enhancement. Increased Nd content refines grain size and forms continuous Mg12Nd phases along grain boundaries. The Mg98.4Nd1.6 composition exhibits optimal kinetics: at 375 °C, hydrogenation reaches 6.73 wt\% in 60 min, and dehydrogenation achieves 6.47 wt\% in 9 min. During initial hydrogenation, Mg12Nd disproportionates into nanoscale NdHx and MgH2, reducing the dehydrogenation activation energy to 101.8 kJ/mol. The hydrogen pumping effect of NdHx lowers H2 dissociation and diffusion barriers and pins grain boundaries, inhibiting Mg coarsening. These effects collectively result in excellent kinetics and stable hydrogen storage capacity.",

keywords = "Cycling performance, Hydrogen absorption/desorption kinetics, Hydrogen storage alloy, Microstructure evolution, Nano-catalytic phase",

author = "Chenlu Wang and Wenchao Cao and Xiangfeng Ma and Jiahao Cao and Xin Ding and Qiang Song and Ruirun Chen",

note = "Publisher Copyright: {\textcopyright} 2026 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights are reserved, including those for text and data mining, AI training, and similar technologies.",

year = "2026",

month = jun,

day = "10",

doi = "10.1016/j.ijhydene.2026.155461",

language = "英语",

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journal = "International Journal of Hydrogen Energy",

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T1 - Unlocking ultrafast hydrogen sorption kinetics in Mg alloys via in-situ disproportionation of Mg12Nd into catalytic nano-NdHx

AU - Wang, Chenlu

AU - Cao, Wenchao

AU - Ma, Xiangfeng

AU - Cao, Jiahao

AU - Ding, Xin

AU - Song, Qiang

AU - Chen, Ruirun

PY - 2026/6/10

Y1 - 2026/6/10

N2 - Mg-based hydrogen storage materials suffer from sluggish kinetics and capacity degradation. This study employs micro-scale Nd doping in Mg100-xNdx (x = 0-1.6 at.%) to investigate microstructural evolution and performance enhancement. Increased Nd content refines grain size and forms continuous Mg12Nd phases along grain boundaries. The Mg98.4Nd1.6 composition exhibits optimal kinetics: at 375 °C, hydrogenation reaches 6.73 wt% in 60 min, and dehydrogenation achieves 6.47 wt% in 9 min. During initial hydrogenation, Mg12Nd disproportionates into nanoscale NdHx and MgH2, reducing the dehydrogenation activation energy to 101.8 kJ/mol. The hydrogen pumping effect of NdHx lowers H2 dissociation and diffusion barriers and pins grain boundaries, inhibiting Mg coarsening. These effects collectively result in excellent kinetics and stable hydrogen storage capacity.

AB - Mg-based hydrogen storage materials suffer from sluggish kinetics and capacity degradation. This study employs micro-scale Nd doping in Mg100-xNdx (x = 0-1.6 at.%) to investigate microstructural evolution and performance enhancement. Increased Nd content refines grain size and forms continuous Mg12Nd phases along grain boundaries. The Mg98.4Nd1.6 composition exhibits optimal kinetics: at 375 °C, hydrogenation reaches 6.73 wt% in 60 min, and dehydrogenation achieves 6.47 wt% in 9 min. During initial hydrogenation, Mg12Nd disproportionates into nanoscale NdHx and MgH2, reducing the dehydrogenation activation energy to 101.8 kJ/mol. The hydrogen pumping effect of NdHx lowers H2 dissociation and diffusion barriers and pins grain boundaries, inhibiting Mg coarsening. These effects collectively result in excellent kinetics and stable hydrogen storage capacity.

KW - Cycling performance

KW - Hydrogen absorption/desorption kinetics

KW - Hydrogen storage alloy

KW - Microstructure evolution

KW - Nano-catalytic phase

UR - https://www.scopus.com/pages/publications/105039147260

U2 - 10.1016/j.ijhydene.2026.155461

DO - 10.1016/j.ijhydene.2026.155461

M3 - 文章

AN - SCOPUS:105039147260

SN - 0360-3199

VL - 241

JO - International Journal of Hydrogen Energy

JF - International Journal of Hydrogen Energy

M1 - 155461

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