Zonal activation of molecular carbon dioxide and hydrogen over dual sites Ni-Co-MgO catalyst for CO_(2) methanation:Synergistic catalysis of Ni and Co species  

作　　者：Zonglin Li Jianjun Chen Yu Xie Junjie Wen Huiling Weng Mingxue Wang Jingyi Zhang Jinyan Cao Guocai Tian Qiulin Zhang Ping Ning 

机构地区：[1]Faculty of Environmental Science and Engineering,Kunming University of Science and Technology,Kunming 650500,Yunnan,China [2]National-Regional Engineering Center for Recovery of Waste Gases from Metallurgical and Chemical Industries,Kunming University of Science and Technology,Kunming 650500,Yunnan,China [3]Faculty of Metallurgical and Energy Engineering,Kunming University of Science and Technology,Kunming 650093,Yunnan,China

出　　处：《Journal of Energy Chemistry》2024年第4期213-225,共13页能源化学（英文版）

基　　金：funded by the Science and Technology Project of Southwest United Graduate School of Yunnan Province(No.202302AQ370002);the National Natural Science Foundation of China(No.22206066)。

摘　　要：An in-depth mechanism in zonal activation of CO_(2)and H2molecular over dual-active sites has not been revealed yet.Here,Ni-Co-MgO was rationally constructed to elucidate the CO_(2)methanation mechanism.The abundant surface nickel and cobalt components as active sites led to strong Ni-Co interaction with charge transfer from nickel to cobalt.Notably,electron-enriched Coδ-species participated in efficient chemisorption and activation of CO_(2)to generate monodentate carbonate.Simultaneously,plentiful available Ni0sites facilitated H2dissociation,thus CO_(2)and H2were smoothly activated at zones of Coδ-species and Ni0,respectively.Detailed in situ DRIFTS,quasi situ XPS,TPSR,and DFT calculations substantiated a new formate evolution mechanism via monodentate carbonate instead of traditional bidentate carbonate based on synergistic catalysis of Coδ-species and Ni0.The zonal activation of CO_(2)and H2by tuning electron behaviors of double-center catalysts can boost heterogeneous catalytic hydrogenation performance.

关 键 词：Zonal activation CO_(2) methanation Dual active sites Synergistic effect 

分 类 号：TQ221.11[化学工程—有机化工] O643.36[理学—物理化学]