Single-atom catalysts (SACs) are of great interest because they can maximize the atom-utilization efficiency and generate unique catalytic properties; however, much attention has paid to single-site active components, rarely to catalyst promoters. Promoters can significantly affect the activity and selectivity of a catalyst, even at their low concentrations in catalysts. In this work, we designed and synthesized CuO catalysts with atomically dispersed co-promoters of Sn and Zn. When used as the catalyst in the Rochow reaction for the synthesis of dimethyldichlorosilane, this catalyst exhibited much-enhanced activity, selectivity, and stability as compared with the conventional CuO catalysts with promoters in the form of nanoparticles. Density functional theory calculations demonstrate that single-atomic Sn substitution in CuO surface can enrich surface Cu vacancies and promote dispersion of Zn to its atomic levels. The obtained both Sn and Zn single-sites as the co-promoters cooperatively generate electronic interaction with the CuO support, which further facilitates the adsorption of the reactant molecules on the surface, thereby leading to the superior catalytic performance.

中文翻译：

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CuO 催化剂中的单原子 Sn-Zn 对促进二甲基二氯硅烷的合成


单原子催化剂（SAC）引起了人们的极大兴趣，因为它们可以最大限度地提高原子利用效率并产生独特的催化性能；然而，人们对单中心活性组分给予了很多关注，而很少关注催化剂促进剂。促进剂可以显着影响催化剂的活性和选择性，即使其在催化剂中的浓度较低。在这项工作中，我们设计并合成了具有原子分散的锡和锌共促进剂的 CuO 催化剂。当用作罗肖反应合成二甲基二氯硅烷的催化剂时，与传统的纳米粒子助催化剂的CuO催化剂相比，该催化剂表现出显着增强的活性、选择性和稳定性。密度泛函理论计算表明，CuO表面的单原子Sn取代可以丰富表面Cu空位并促进Zn分散到原子水平。所获得的Sn和Zn单中心作为助促进剂与CuO载体协同产生电子相互作用，进一步促进反应物分子在表面的吸附，从而产生优异的催化性能。