1. Single-atom Sn-Zn pairs in CuO catalyst promote dimethyldichlorosilane synthesis.
- Author
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Shi, Qi, Ji, Yongjun, Chen, Wenxin, Zhu, Yongxia, Li, Jing, Liu, Hezhi, Li, Zhi, Tian, Shubo, Wang, Ligen, Zhong, Ziyi, Wang, Limin, Ma, Jianmin, Li, Yadong, and Su, Fabing
- Subjects
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ZINC catalysts , *DENSITY functional theory , *CATALYSTS , *CATALYST selectivity - Abstract
Single-atom catalysts are of great interest because they can maximize the atom-utilization efficiency and generate unique catalytic properties; however, much attention has been 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 compared with the conventional CuO catalysts with promoters in the form of nanoparticles. Density functional theory calculations demonstrate that single-atomic Sn substitution in the CuO surface can enrich surface Cu vacancies and promote dispersion of Zn to its atomic levels. 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. [ABSTRACT FROM AUTHOR]
- Published
- 2020
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