Density Functional Theory (DFT) is employed to perform a comparative analysis of the catalytic performance in NH₃ production between a high entropy alloy (HEA) and the conventional Pt(100) catalyst during the NO reduction in the passive NH₃ process. DFT findings show that HEA displays attractive potential as an alternative TWC catalyst for replacing the conventional catalyst in passive NH₃-SCR. This is reported by Chanthip Wangphon, Tinnakorn Saelee, Meena Rittiruam, Patcharaporn Khajondetchairit, Supareak Praserthdam, Annop Ektarawong, Björn Alling, and Piyasan Praserthdam in article number 2300616.

中文翻译：

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PtPd 基高熵合金如何在 NO 还原过程中战胜传统 Twc 催化剂？密度泛函理论研究（高级理论模拟。1/2024）

采用密度泛函理论(DFT)对高熵合金(HEA)和传统Pt(100)催化剂在被动NH _{3过程中NO还原过程中的NH 3}生产催化性能进行了比较分析。_{DFT 研究结果表明，HEA 作为替代 TWC 催化剂，用于替代被动 NH 3} -SCR中的传统催化剂，显示出诱人的潜力。Chanthip Wangphon、Tinnakorn Saelee、Meena Rittiruam、Patcharaporn Khajondetchairit、Supareak Praserthdam、Annop Ektarawong、Björn Alling 和 Piyasan Praserthdam 在文章号 2300616 中对此进行了报道。