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

IF 7.4 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Science China Materials Pub Date : 2025-06-06 DOI:10.1007/s40843-025-3399-3

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

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Abstract

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_Pt⁻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.

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具有铁/Y共调节的耐氨pt基HOR催化剂，通过机器学习实现高效氢净化

开发高效耐氨电催化剂是实现氢电化学氢泵（EHP）的关键。在这项研究中，机器学习和Shapley添加剂解释被用来识别两种过渡金属，Fe和Y，具有潜在的氨耐受性。随后，通过使用这两种具有独特调制电子特性能力的过渡金属，我们调制了铂的电子特性。在此过程中，Fe以其特殊的促进作用，促进了PtY合金的形成，而不是y的稳定氧化相。这种改性显著降低了氨吸附，增强了抗氨中毒能力，同时增强了氢氧化反应（HOR）活性。采用双过渡金属调制的电催化剂（FeY-Pt-C, 20% Pt）的质量活性为1071 mA mgPt−1，是Pt- c （20% Pt）催化剂的2.23倍。值得注意的是，即使在5000 ppm NH3的影响下，FeY-Pt-C仍保持了93.1%的初始电催化活性，表现出优异的抗氨中毒能力。因此，本研究为HOR催化剂在EHP中的应用提供了有价值的见解，特别是在提高氨耐受性和促进氨裂解产纯氢方面。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Science China Materials Materials Science-General Materials Science

CiteScore

11.40

自引率

7.40%

发文量

949

期刊介绍： Science China Materials (SCM) is a globally peer-reviewed journal that covers all facets of materials science. It is supervised by the Chinese Academy of Sciences and co-sponsored by the Chinese Academy of Sciences and the National Natural Science Foundation of China. The journal is jointly published monthly in both printed and electronic forms by Science China Press and Springer. The aim of SCM is to encourage communication of high-quality, innovative research results at the cutting-edge interface of materials science with chemistry, physics, biology, and engineering. It focuses on breakthroughs from around the world and aims to become a world-leading academic journal for materials science.