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

doi:10.1016/j.jcis.2021.12.102

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	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, Chaoyue 1; Zhu, Baozhong 1; Sun, Yunlan 1; Li, Fan 2; Song, Weiyi 1
	2022-04-15
发表期刊	JOURNAL OF COLLOID AND INTERFACE SCIENCE
ISSN	0021-9797
卷号	612 页码:584-597
通讯作者	Zhu, Baozhong(bzzhu@cczu.edu.cn) ; Sun, Yunlan(ylsun@cczu.edu.cn)
摘要	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.
关键词	Cu doping Oxygen vacancy Fe-based catalyst First-principles
DOI	10.1016/j.jcis.2021.12.102
关键词[WOS]	LOW-TEMPERATURE SCR ; NH3-SCR ACTIVITY ; NO ; REDUCTION ; NH3 ; ADSORPTION ; DFT ; MECHANISM ; REACTIVITY ; O-2
收录类别	SCI
语种	英语
资助项目	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研究方向	Chemistry
项目资助者	National Natural Science Foundation of China ; Project of Jiangsu Provincial Six Talent Peak ; High Performance Computation Laboratory of Changzhou University
WOS类目	Chemistry, Physical
WOS记录号	WOS:000750741700008
出版者	ACADEMIC PRESS INC ELSEVIER SCIENCE
引用统计	被引频次：8[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.giec.ac.cn/handle/344007/35814
专题	中国科学院广州能源研究所
通讯作者	Zhu, Baozhong; Sun, Yunlan
作者单位	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
推荐引用方式 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.