催化作用
整体
化学工程
碳纤维
材料科学
纳米颗粒
密度泛函理论
异质结
化学
多孔性
无机化学
纳米技术
有机化学
复合材料
光电子学
计算化学
复合数
工程类
作者
Liyuan Zhang,Shu Yang,Yuekun Lai,Hui Liu,Yiang Fan,Liu Cao,Haiying Wang,Liyuan Chai
标识
DOI:10.1016/j.apcatb.2019.118556
摘要
Gaseous Hg0 is one of the most deadly and hard-to-dispose pollutants. The oxidation of Hg0 is a promising route, but the rational design and synthesis of highly efficient catalysts still remain grand challenges. Herein, [email protected]2O (or CuxO) heterostructured nanoparticles uniformly monodispersing on porous carbon monolith were designed and successfully synthesized using oligo(m-phenylenediamine)-Cu2+ complex as raw material. The CuxO-carbon catalyst contains ∼28 wt% of Cu. Based on density functional theory calculation, the [email protected]2O junction interfaces can accelerate the Hg0 oxidation by significantly reducing the energy barriers of reaction. Only 1 mg of the catalyst can catalyze the oxidation of more than 90 % of Hg0 with [HCl] = 0.5 ppm, [O2] = 6 vol%, T = 150 °C. The poisoning effect of either SO2 or H2O on the catalysts is weak. Moreover, a long-term test confirmed that the Hg0 oxidation rate can maintain more than 90 % even in the co-presence of SO2 (5000 ppm) and H2O (10 vol%).
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