揭示单原子催化中支持lumo -活度的相关性

IF 11.5 Q1 CHEMISTRY, PHYSICAL

Chem Catalysis Pub Date : 2025-06-19 DOI:10.1016/j.checat.2025.101396

Huayu Gu, Dongshuang Wu

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引用次数: 0

摘要

单原子催化剂在非均相催化反应中表现出巨大的潜力。然而，阐明和准确预测SACs的构效关系仍然是高性能催化剂合理设计的关键和挑战。Shi等人最近在《自然》杂志上报道，钯（Pd1） SACs的乙炔半加氢活性与氧化物载体的最低未占据分子轨道（LUMO）之间存在线性关系。

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Unveiling the support LUMO-activity correlation in single-atom catalysis

Single-atom catalysts (SACs) have demonstrated remarkable potential in heterogeneous catalytic reactions. However, elucidating and precisely predicting the structure-activity relationships of SACs remain critical yet challenging for the rational design of high-performance catalysts. Reporting recently in Nature, Shi et al. uncover a linear relationship between the acetylene semi-hydrogenation activity of palladium (Pd₁) SACs and the lowest unoccupied molecular orbital (LUMO) of oxide supports.

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来源期刊

Chem Catalysis

CiteScore

10.50

自引率

6.40%

发文量

期刊介绍： Chem Catalysis is a monthly journal that publishes innovative research on fundamental and applied catalysis, providing a platform for researchers across chemistry, chemical engineering, and related fields. It serves as a premier resource for scientists and engineers in academia and industry, covering heterogeneous, homogeneous, and biocatalysis. Emphasizing transformative methods and technologies, the journal aims to advance understanding, introduce novel catalysts, and connect fundamental insights to real-world applications for societal benefit.