钙钛矿(结构)
催化作用
化学
甲烷
合理设计
甲烷厌氧氧化
金属
无机化学
光化学
纳米技术
材料科学
结晶学
有机化学
作者
Ting Wang,Chao Zhang,Jieyu Wang,Haiyan Li,Yan Duan,Zheng Liu,Jun Yan Lee,Xiao Hu,Shibo Xi,Yonghua Du,Shengnan Sun,Xianhu Liu,Jongmin Lee,Chuan Wang,Zhichuan J. Xu
标识
DOI:10.1016/j.jcat.2020.07.007
摘要
The rational design of efficient catalysts can be guided by identifying proper descriptors that can rationalize and predict the catalytic behavior. This study presents the feasibility of using the relative positions of the O p-band center and the B-site metal cation d-band center as an activity descriptor for methane oxidation over LaCoO3 perovskite oxides. Experiments on B-site-substituted LaFexCo1−xO3 perovskite oxides revealed that the relative positions of the two band centers governed the catalytic comportment. The suprafacial model-driven catalysts with negative relative position values exhibited high activity at low temperatures. Conversely, the intrafacial model-driven catalysts with positive relative position values showed superior activity at high temperatures. These findings were found to be effective for catalytic performance prediction on the A-site substituted La1−xSrxCoO3 perovskite oxides. This work hence showcases a promising principle to design highly active perovskite catalysts suitable for oxidation reactions.
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