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<p>The development of efficient electrocatalysts with enhanced ammonia tolerance is crucial for the implementation of hydrogen electrochemical hydrogen pump (EHP). In this study, machine learning and Shapley Additive Explanations were utilized to identify two transition metals, Fe and Y, with potential for ammonia tolerance. Subsequently, by employing these two transition metals with distinctive ability to modulate electronic properties, we modulated the electronic properties of platinum. During this process, Fe, with its special promotion effect, facilitated the formation of the PtY alloy instead of stable oxide phase of Y. This modification significantly reduced ammonia adsorption, enhanced resistance to ammonia poisoning, and simultaneously enhanced the hydrogen oxidation reaction (HOR) activity. Electrocatalysts employing dual transition metal modulation (FeY-Pt-C, 20% Pt) exhibited a mass activity of 1071 mA mg<sub>Pt</sub><sup>−1</sup>, which is 2.23-fold greater than the Pt-C (20% Pt) catalyst. Remarkably, even under the influence of 5000 ppm NH<sub>3</sub>, FeY-Pt-C retained 93.1% of its initial electrocatalytic activity, demonstrating excellent resistance to ammonia poisoning. Therefore, this investigation provides valuable insights into the application of HOR catalysts in EHP, particularly in enhancing ammonia tolerance and facilitating pure hydrogen production from ammonia cracking.</p>

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Ammonia-resistant Pt-based HOR catalyst with Fe/Y co-regulation for high-efficiency hydrogen purification enabled by machine learning

  • 期刊论文

  • 发表日期：

    2025年6月6日

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  • Yanshen Zhao,
  • Xiaoqing Wang,
  • Rui Wang,
  • Fanglin Wu,
  • Wenjing Duan,
  • Hao Li,
  • Haolin Tang

摘要

The development of efficient electrocatalysts with enhanced ammonia tolerance is crucial for the implementation of hydrogen electrochemical hydrogen pump (EHP). In this study, machine learning and Shapley Additive Explanations were utilized to identify two transition metals, Fe and Y, with potential for ammonia tolerance. Subsequently, by employing these two transition metals with distinctive ability to modulate electronic properties, we modulated the electronic properties of platinum. During this process, Fe, with its special promotion effect, facilitated the formation of the PtY alloy instead of stable oxide phase of Y. This modification significantly reduced ammonia adsorption, enhanced resistance to ammonia poisoning, and simultaneously enhanced the hydrogen oxidation reaction (HOR) activity. Electrocatalysts employing dual transition metal modulation (FeY-Pt-C, 20% Pt) exhibited a mass activity of 1071 mA mgPt−1, which is 2.23-fold greater than the Pt-C (20% Pt) catalyst. Remarkably, even under the influence of 5000 ppm NH3, FeY-Pt-C retained 93.1% of its initial electrocatalytic activity, demonstrating excellent resistance to ammonia poisoning. Therefore, this investigation provides valuable insights into the application of HOR catalysts in EHP, particularly in enhancing ammonia tolerance and facilitating pure hydrogen production from ammonia cracking.