Knowledge Management System Of Guangzhou Institute of Energy Conversion, CAS
| Understanding the roles of copper dopant and oxygen vacancy in promoting nitrogen oxides removal over iron-based catalyst surface: A collaborative experimental and first-principles study | |
| Xie, Chaoyue1; Zhu, Baozhong1; Sun, Yunlan1; Li, Fan2; Song, Weiyi1 | |
| 2022-04-15 | |
| Source Publication | JOURNAL OF COLLOID AND INTERFACE SCIENCE
 |
| ISSN | 0021-9797 |
| Volume | 612Pages:584-597 |
| Corresponding Author | Zhu, Baozhong(bzzhu@cczu.edu.cn) ; Sun, Yunlan(ylsun@cczu.edu.cn) |
| Abstract | In this work, we proposed a novel strategy of copper (Cu) doping to enhance the nitrogen oxides (NOx) removal efficiency of iron (Fe)-based catalysts at low temperature through a simple citric acid mixing method, which is critical for its practical application. The doping of Cu significantly improves the deNO(x) performance of Fe-based catalysts below 200 degrees C, and the optimal catalyst is (Cu0.22Fe1.78)(1) O-delta(3), which deNO(x) efficiency can reach 100% at 160-240 degrees C. From the macro aspects, the main reasons for the excellent catalytic activity of the (Cu-0.22 Fe-1.78)(1) O-delta(3) catalyst are the large number of oxygen vacancies (O-vac), appropriate Fe3+ and Cu2+ contents, stronger surface acidity and redox ability. From the micro aspects, the O vac plays a key role in enhancing molecular adsorption, oxidation, and the deNO(x) reaction over the Fe-based catalyst surface, which promoting order is Cu-O-vac > O-vac > Cu. This work provides a new insight for the mechanism study of oxygen vacancy engineering and also accelerates the development of Cu-Fe bimetal composite catalysts at low temperature. (C) 2021 Elsevier Inc. All rights reserved. |
| Keyword | Cu doping Oxygen vacancy Fe-based catalyst First-principles |
| DOI | 10.1016/j.jcis.2021.12.102 |
| WOS Keyword | LOW-TEMPERATURE SCR ; NH3-SCR ACTIVITY ; NO ; REDUCTION ; NH3 ; ADSORPTION ; DFT ; MECHANISM ; REACTIVITY ; O-2 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | National Natural Science Foundation of China[52076016] ; National Natural Science Foundation of China[51676001] ; Project of Jiangsu Provincial Six Talent Peak[JNHB-097] ; High Performance Computation Laboratory of Changzhou University |
| WOS Research Area | Chemistry |
| Funding Organization | National Natural Science Foundation of China ; Project of Jiangsu Provincial Six Talent Peak ; High Performance Computation Laboratory of Changzhou University |
| WOS Subject | Chemistry, Physical |
| WOS ID | WOS:000750741700008 |
| Publisher | ACADEMIC PRESS INC ELSEVIER SCIENCE |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.giec.ac.cn/handle/344007/35814 |
| Collection | 中国科学院广州能源研究所 |
| Corresponding Author | Zhu, Baozhong; Sun, Yunlan |
| Affiliation | 1.Changzhou Univ, Sch Petr Engn, Changzhou 213164, Jiangsu, Peoples R China 2.Chinese Acad Sci, Guangzhou Inst Energy Convers, Guangzhou, Guangdong, Peoples R China |
| Recommended Citation GB/T 7714 | Xie, Chaoyue,Zhu, Baozhong,Sun, Yunlan,et al. Understanding the roles of copper dopant and oxygen vacancy in promoting nitrogen oxides removal over iron-based catalyst surface: A collaborative experimental and first-principles study[J]. JOURNAL OF COLLOID AND INTERFACE SCIENCE,2022,612:584-597. |
| APA | Xie, Chaoyue,Zhu, Baozhong,Sun, Yunlan,Li, Fan,&Song, Weiyi.(2022).Understanding the roles of copper dopant and oxygen vacancy in promoting nitrogen oxides removal over iron-based catalyst surface: A collaborative experimental and first-principles study.JOURNAL OF COLLOID AND INTERFACE SCIENCE,612,584-597. |
| MLA | Xie, Chaoyue,et al."Understanding the roles of copper dopant and oxygen vacancy in promoting nitrogen oxides removal over iron-based catalyst surface: A collaborative experimental and first-principles study".JOURNAL OF COLLOID AND INTERFACE SCIENCE 612(2022):584-597. |
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