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Improving the electrocatalytic properties of Pd-based catalyst for direct alcohol fuel cells: effect of solid solution

机译:改善Pd基催化剂对直接酒精燃料电池的电催化性能:固溶体的影响

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摘要

The tolerance of the electrode against the CO species absorbed upon the surface presents the biggest dilemma of the alcohol fuel cells. Here we report for the first time that the inclusion of (Zr, Ce)O2 solid solution as the supporting material can significantly improve the anti-CO-poisoning as well as the activity of Pd/C catalyst for ethylene glycol electro-oxidation in KOH medium. In particular, the physical origin of the improved electrocatalytic properties has been unraveled by first principle calculations. The 3D stereoscopic Pd cluster on the surface of (Zr, Ce)O2 solid solution leads to weaker Pd-C bonding and smaller CO desorption driving force. These results support that the Pd/ZrO2-CeO2/C composite catalyst could be used as a promising effective candidate for direct alcohol fuel cells application.
机译:电极对吸收在表面上的CO种类的耐受性是酒精燃料电池的最大难题。在这里,我们首次报道了以(Zr,Ce)O2固溶体作为载体材料可以显着改善KOH中的抗CO中毒以及Pd / C催化剂对乙二醇电氧化的活性。介质。特别地,通过第一原理计算已经阐明了改进的电催化性能的物理来源。 (Zr,Ce)O2固溶体表面上的3D立体Pd团簇导致Pd-C键变弱和CO解吸驱动力减小。这些结果支持Pd / ZrO2-CeO2 / C复合催化剂可以用作直接酒精燃料电池应用的有希望的有效候选者。

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