Optimizing Oxygen Reduction Reaction Performance in Pt-based Catalysts through Fe/Ce Dual-Component Interface Engineering on Nitrogen-Doped Carbon

IF 6.1 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Frontiers Pub Date : 2025-04-15 DOI:10.1039/d5qi00768b

Zigang Zhao, Pan Guo, Bo Liu, Miao Ma, Lixiao Shen, Yunlong Zhang, Lei Zhao, Guiling Wang, Zhenbo Wang

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Abstract

The advancement of high-efficiency Pt catalysts with reduced Pt loading is crucial for proton exchange membrane fuel cells (PEMFCs). This research presents a methodology that significantly increases the performance of Pt/C through the interactions between Pt and Fe-Nx/Ce-Nx on carbon, thereby effectively reducing Pt consumption. Density functional theory (DFT) calculations indicate that the presence of Fe-Nx/Ce-Nx together enhances the strong interaction between Pt and FeCe-NC, decreasing the d-band energy level (εd) of Pt, which leads to the reduction of O* adsorption and acceleration of desorption at the Pt sites. Consequently, the Pt/FeCe-NC demonstrates exceptional performance for the ORR. The Pt/FeCe-NC has an E1/2 of 0.927 V and decays by only 7 mV after 30,000 accelerated stress test (AST) cycles under acidic conditions. Furthermore, the Pt/FeCe-NC (2.14 W/cm2) surpasses Pt/C (1.78 W/cm2) regarding peak power density in PEMFCs. This innovative approach clarifies the interactions between Pt and Fe-Nx/Ce-Nx, providing a framework for the design of advanced catalysts.

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通过在掺氮碳上进行铁/铈双组分界面工程优化铂基催化剂的氧还原反应性能

高效Pt催化剂的发展对质子交换膜燃料电池（pemfc）的发展至关重要。本研究提出了一种通过Pt和Fe-Nx/Ce-Nx在碳上的相互作用显著提高Pt/C性能的方法，从而有效地减少了Pt的消耗。密度泛函理论（DFT）计算表明，Fe-Nx/Ce-Nx的存在增强了Pt与FeCe-NC之间的强相互作用，降低了Pt的d能带能级（εd），导致Pt位点O*吸附减少，脱附加速。因此，Pt/FeCe-NC在ORR中表现出优异的性能。Pt/FeCe-NC的E1/2为0.927 V，在酸性条件下经过30,000次加速应力测试（AST）后，衰减仅为7 mV。此外，Pt/FeCe-NC （2.14 W/cm2）超过Pt/C （1.78 W/cm2）的峰值功率密度。这种创新的方法阐明了Pt和Fe-Nx/Ce-Nx之间的相互作用，为设计先进的催化剂提供了框架。

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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