氧化剂
催化作用
碳纳米管
脱氢
材料科学
化学工程
氯
氧气
密度泛函理论
催化氧化
硝酸
一氧化碳
无机化学
砷化氢
纳米技术
化学
有机化学
计算化学
冶金
工程类
磷化氢
作者
Xinyu Yang,Jiayu Feng,Xingguang Hao,Li Zhao,Wenkai Xu,Yixing Ma,Xin Sun,Kai Li,Ping Ning,Fei Wang,Changbin Zhang
标识
DOI:10.1021/acs.est.3c06741
摘要
The efficient removal of the highly toxic arsine gas (AsH3) from industrial tail gases under mild conditions remains a formidable challenge. In this study, we utilized the confinement effect of defective carbon nanotubes to fabricate a CuO cluster catalyst (CuO/ACNT), which exhibited a capacity much higher than that of CuO supported on pristine multiwalled carbon nanotubes (MWCNT) (CuO/PCNT) for catalytically oxidizing AsH3 under ambient conditions. The experimental and theoretical results show that nitric acid steam treatment could induce MWCNT surface structural defects, which facilitated more stable anchoring of CuO and then improved the oxygen activation ability, therefore leading to excellent catalytic performance. Density functional theory (DFT) calculations revealed that the catalytic oxidation of AsH3 proceeded through stepwise dehydrogenation and subsequent recombination with oxygen to form As2O3 as the final product.
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