选择性
催化作用
化学
光化学
氧化态
钛
配体(生物化学)
组合化学
材料科学
有机化学
受体
生物化学
作者
Baoxin Ni,Guiru Zhang,Huiming Wang,Yulin Min,Kun Jiang,Hexing Li
标识
DOI:10.1002/anie.202215574
摘要
The design for non-Cu-based catalysts with the function of producing C2+ products requires systematic knowledge of the intrinsic connection between the surface state as well as the catalytic activity and selectivity. In this work, photochemical in situ spectral surface characterization techniques combined with the first principle calculations (DFT) were applied to investigate the relationships between the composition of surface states, coordinated motifs, and catalytic selectivity of a titanium oxynitride catalyst. When the catalyst mediates CO2 photoreduction, C2 product selectivity is positively correlated with the surface Ti2+ /Ti3+ ratio and the surface oxidation state is regulated and controlled by coordinated motifs of N-Ti-O/V[O], which can reduce the potential dimerization energy barriers of *CO-CO* and promote spontaneous formation of the subsequent *CO-CH2 * intermediate. This phenomenon provides a new perspective for the design of heterogeneous catalysts for photoreduction of CO2 into useful products.
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