Pt–oxygen-containing species (Pt-OCS) catalysts, in which OCS (e.g., metal-oxides) are decorated on a Pt surface, possess enhanced ethanol oxidation reaction (EOR) activity and stability compared with pure Pt and are promising in practical applications of direct ethanol fuel cells. We investigate the promotion roles of Pt-OCS electrocatalysts toward the EOR via a combination of density functional theory (DFT) calculations and experiments, providing a rational design strategy for Pt-OCS catalysts. It is revealed that Pt-AuO and Pt-SnO excel in EOR activity and stability, respectively, among the DFT screening of various Pt-OCS systems, and this is confirmed by the following experiments. Moreover, an optimized Pt-AuSnO catalyst is proposed by DFT calculations, taking advantage of both Pt-AuO and Pt-SnO. The as-prepared Pt-AuSnO catalyst delivers an EOR activity that is 9.7 times higher than that of Pt and shows desired stability. These findings are expected to elucidate the mechanistic insights into Pt-OCS materials and lead to advanced EOR electrocatalysts.

中文翻译：

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乙醇氧化反应中含Pt-氧的物种阳极的优化：Pt-AuSnO _x电催化剂的高性能

含Pt-OCS催化剂，其中OCS（例如金属氧化物）装饰在Pt表面，与纯Pt相比，具有增强的乙醇氧化反应（EOR）活性和稳定性，在实际应用中前景广阔直接乙醇燃料电池的应用。我们通过结合密度泛函理论（DFT）计算和实验研究了Pt-OCS催化剂对EOR的促进作用，为Pt-OCS催化剂提供了合理的设计策略。揭示了在各种Pt-OCS系统的DFT筛选中，Pt-AuO和Pt-SnO分别具有优异的EOR活性和稳定性，这由以下实验证实。此外，通过DFT计算，提出了一种优化的Pt-AuSnO催化剂，同时利用了Pt-AuO和Pt-SnO。所制备的Pt-AuSnO催化剂的EOR活性是Pt的9.7倍，并显示出所需的稳定性。这些发现有望阐明对Pt-OCS材料的机械学见解，并导致先进的EOR电催化剂。