催化作用
材料科学
催化加氢
离解(化学)
石墨烯
密度泛函理论
金属
非金属
纳米技术
组合化学
化学
有机化学
计算化学
冶金
作者
Jie Ding,Fuhua Li,Jincheng Zhang,Haifeng Qi,Zhiming Wei,Chenliang Su,Hong Bin Yang,Yueming Zhai,Bin Liu
标识
DOI:10.1002/adma.202306480
摘要
Constructing atomic catalytic pair emerges as an attractive strategy to achieve better catalytic performance. Herein, an atomic Ir1 ─P1 /NPG catalyst with asymmetric Ir─N2 P1 sites that delivers superb activity and selectivity for hydrogenation of various functionalized nitrostyrene is reported. In the hydrogenation reaction of 3-nitrostyrene, Ir1 ─P1 /NPG (NPG refers to N, P-codoped graphene) shows a turnover frequency of 1197 h-1 , while the reaction cannot occur over Ir1 /NG (NG refers to N-doped graphene). Compared to Ir1 /NG, the charge density of the Ir site in Ir1 ─P1 /NPG is greatly elevated, which is conducive to H2 dissociation. Moreover, as revealed by density functional theory calculations and poisoning experiments, the P site in Ir1 ─P1 /NPG is found able to bind nitrostyrene, while the neighboring Ir site provides H to reduce the nitro group in chemoselective hydrogenation of nitrostyrene. This work offers a successful example of establishing atomic catalytic pair for driving important chemical reactions, paving the way for the development of more advanced catalysts to further improve the catalytic performance.
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