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Non-metallic surface reconstruction strategy enhances poisoning tolerance of ZrCo-based hydrogen storage alloys

Author

Listed:
  • Bi, Jiapeng
  • Zhou, Panpan
  • Zhou, Qianwen
  • Liu, Yang
  • Tang, Lin
  • Xiao, Shunrui
  • Lei, Nuo
  • Chu, Fei
  • Kou, Huaqin
  • Tang, Tao
  • Chen, Lixin
  • Xiao, Xuezhang

Abstract

As a renewable energy carrier, hydrogen requires efficient storage solutions. ZrCo alloy is a promising hydrogen isotope storage material yet its vulnerability to impurity gas poisoning poses a challenge. Our study highlights the profound benefits of surface non-metallic modifications in enhancing anti-poisoning properties of ZrCo alloy. Based on computational scanning, an optimized nitridation strategy was devised that fosters the in-situ reconstruction of a protective N-dissolved Zr (ZrNx) layer on ZrCo surface. Interestingly, the developed ZrNx layer serves as a dual-functional safeguard: physically barring impurity gases while chemically displacing them by lowering the d-band center from −1.14 eV to −1.91 eV. Accordingly, the hydrogen absorption rate constant of the nitrided sample soared by astonishing 226 and 40 times compared to unmodified ZrCo in H2+CO2/CO (2000 ppm) mixed gas, outperforming the top-performing Pd-coated ZrCo reported to date. This breakthrough in-situ surface non-metallic reconstruction approach effectively inhibits surface poisoning, ushering in a novel paradigm for enhancing the anti-poisoning performance of hydrogen storage materials in renewable energy application.

Suggested Citation

  • Bi, Jiapeng & Zhou, Panpan & Zhou, Qianwen & Liu, Yang & Tang, Lin & Xiao, Shunrui & Lei, Nuo & Chu, Fei & Kou, Huaqin & Tang, Tao & Chen, Lixin & Xiao, Xuezhang, 2026. "Non-metallic surface reconstruction strategy enhances poisoning tolerance of ZrCo-based hydrogen storage alloys," Renewable Energy, Elsevier, vol. 256(PD).
    • Handle: RePEc:eee:renene:v:256:y:2026:i:pd:s0960148125018907
    DOI: 10.1016/j.renene.2025.124226
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    References listed on IDEAS

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    1. Yao, Zhendong & Liang, Zhaoqing & Xiao, Xuezhang & Qi, Jiacheng & He, Jiahuan & Huang, Xu & Kou, Huaqin & Luo, Wenhua & Chen, Changan & Chen, Lixin, 2022. "Achieving excellent cycle stability in Zr–Nb–Co–Ni based hydrogen isotope storage alloys by controllable phase transformation reaction," Renewable Energy, Elsevier, vol. 187(C), pages 500-507.
    2. Liu, Yang & Yang, Zhiyi & Xiao, Xuezhang & Zhou, Panpan & Jia, Yuxiao & Feng, Xingwen & Song, Jiangfeng & Shi, Yan & Chen, Changan & Luo, Wenhua & Chen, Lixin, 2024. "Enhancing disproportionation resistance of Zr2Co-based alloys by regulating the binding energy of H atom," Renewable Energy, Elsevier, vol. 233(C).
    3. Zhang, Tiebang & Wu, Tiandong & Xue, Xiangyi & Hu, Rui & Kou, Hongchao & Li, Jinshan, 2017. "Hydrogen storage performance of a pseudo-binary Zr-V-Ni Laves phase alloy against gaseous impurities," Renewable Energy, Elsevier, vol. 103(C), pages 786-793.
    4. Mustakimah Mohamed & Nur Diyana Zakuan & Tengku Nur Adibah Tengku Hassan & Serene Sow Mun Lock & Azmi Mohd Shariff, 2024. "Global Development and Readiness of Nuclear Fusion Technology as the Alternative Source for Clean Energy Supply," Sustainability, MDPI, vol. 16(10), pages 1-37, May.
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