本研究旨在開發一種用於氧還原反應（ORR）的新型催化劑，這是燃料電池技術中的關鍵步驟，以解決應用過程中高成本、化學穩定性差以及壽命短等問題。通過調控鉑基貴金屬催化劑（Pt/Cu@Pd）表面鉑的平均鄰近幾何分佈，發現以簇狀形式存在的鉑具有最佳的催化性能，但其熱力學穩定性較差。為了改善這一問題，研究通過採用高熵合金成功提高了熱力學穩定性，實現了與單一合金相當的分解能壘（約0.6 eV）。

此外，研究還討論了高熵合金相較於單一合金的優越催化性能。這種優越性源於高熵合金中多樣的化學鍵結環境以及其組成元素間的電負性差異，導致了d帶中心的降低。這種降低使得ORR的能壘下降，從而提升了催化性能。因此，結合本研究的發現，選擇穩定且高效的催化劑元素，並進一步調控催化劑元素之間的平均距離，對於催化劑的設計方向具有重要的意義。

This study aims to develop a novel catalyst for the Oxygen Reduction Reaction (ORR), a critical step in fuel cell technology, to address issues such as high costs, low chemical stability, and short lifespan during application. By regulating the geometric distribution of the average platinum proximity on the surface of platinum-based noble metal catalysts (Pt/Cu@Pd), it was discovered that platinum in a clustered form exhibits optimal catalytic performance. However, its thermodynamic stability is poor. To improve this, the study successfully enhanced the thermodynamic stability by employing high-entropy alloys, achieving a comparable decomposition energy barrier (~0.6 eV).

Additionally, the study discusses the superior catalytic performance of high-entropy alloys compared to individual alloys. This superiority arises from the diverse chemical bonding environments of high-entropy alloys and the distinction in electronegativity among their constituent elements, which lead to a reduction in the d-band center. This reduction lowers the ORR's energy barrier, resulting in improved catalytic performance. Therefore, combining the insights from this study, selecting appropriate catalyst elements that are stable and effective, and further regulating the average distance between catalytic elements significantly contribute to the design direction of catalysts.

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