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

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.