文献类型：期刊文献

英文题名：Tuning CO2 hydrogenation selectivity via support interface types on Cu-based catalysts

作者：Han, Caiyun[1];Qin, Langlang[1];Wang, Peng[1,3];Zhang, Haotian[1];Gao, Yunfei[1,2];Zhu, Minghui[4];Wang, Shuang[1,3];Li, Jinping[3]

机构：[1]Taiyuan Univ Technol, Coll Environm Sci & Engn, Jinzhong 030600, Shanxi, Peoples R China;[2]East China Univ Sci & Technol, Inst Clean Coal Technol, Shanghai 200237, Peoples R China;[3]Taiyuan Univ Technol, Shanxi Key Lab Gas Energy Efficient & Clean Utiliz, Taiyuan 030024, Shanxi, Peoples R China;[4]East China Univ Sci & Technol, Sch Chem Engn, State Key Lab Chem Engn, Shanghai 200237, Peoples R China

年份：2024

卷号：357

外文期刊名：FUEL

收录：;EI(收录号：20234014830844);WOS:【SCI-EXPANDED(收录号:WOS:001087057400001)】；

基金：The present work is financially supported by the financial support of the National Natural Science Foundation of China (grant number 22078215) , Research Project by Shanxi Scholarship Council of China (grant number 2021-055) , and Science and Technology Innovation Project of Colleges and Universities in Shanxi Province (grant number 2021L031) .r Project of Colleges and Universities in Shanxi Province (grant number 2021L031) .

语种：英文

外文关键词：CO2 hydrogenation; Support interface types; Product selectivity; Cu-based catalysts; Trimetallic metal organic framework

摘要：Growing interest has been shown in controlling the selectivity of CO2 hydrogenation to produce specific compounds and fuels with additional value. However, it is challenging to selectively generate target products due to the complexity and diversity of the products in CO2 hydrogenation reaction. Herein, we reported a finding in the CO2 hydrogenation reaction: selectivity could be totally reversed by just altering support interface types on Cu-based catalysts. Cu/ZnO-MgO catalysts showed high CH3OH selectivity, while Cu/ZnO-CoO catalysts exhibited good selectivity of CH4. According to in-depth characterization, varied basicity sites most likely as results of the different support interface types. Density functional theory (DFT) calculations pointed that support interface types altered the adsorption position of H2COO* on catalysts and affect the adsorption and activation of intermediates, and thus resulted in noticeably varied product selectivity. This study demonstrated the value of regulating CO2 hydrogenation selectivity via support interface types on Cu-based catalysts, which can aid in the rational design of catalysts for not only CO2 hydrogenation but also other significant reactions.