Active Site Identification and Modification of Electronic States by Atomic-Scale Doping To Enhance Oxide Catalyst Innovation

doi:10.1021/acscatal.7b02638

CORC > 高能物理研究所 > 中国科学院高能物理研究所 > 粒子天体物理中心

	Active Site Identification and Modification of Electronic States by Atomic-Scale Doping To Enhance Oxide Catalyst Innovation
	Zeng, YW; Zheng LR(郑黎荣); erson, JA; Xin, Y; Zhang, NN; Li, Q; Zhang, ZL; Cao, XM; Zheng, LR
刊名	ACS CATALYSIS
	2018
卷号	8 期号:2 页码:1399-1404
关键词	heterogeneous catalyst composite oxide atomic-scale doping selective catalytic reduction nitrogen oxides active site DFT calculation electronic state
ISSN号	2155-5435
DOI	10.1021/acscatal.7b02638
文献子类	Article
英文摘要	Identification of the catalytic active site is critical in the design and development of advanced heterogeneous catalysts. Many high-precision experimental techniques, as well as computational methods, have been developed to address this problem, but identifying the active site for composite oxide catalysts remains a challenging task because of their complexity and indiscernible microstructures. Herein, we provide a key new insight into the active site within a composite oxide catalyst by investigating an iron-based oxide catalyst with complex components. The dopant atoms with octahedral coordination located at substitution sites in the Fe2O3 lattice tune the electronic structure of the adjacent iron atoms, which act as the active sites that lead to enhanced catalytic activity. This atomic-scale doping is different from the emerging single-atom catalyst concept, in which the single atom on the support is the active site, and which provides an alternative methodology of improving the activity of heterogeneous catalysts with maximized heteroatom efficiency.
WOS关键词	GAS SHIFT REACTION ; PLANE-WAVE ; OXIDATION CATALYSIS ; MOLYBDENUM OXIDE ; SCR CATALYSTS ; IN-SITU ; REDUCTION ; AMMONIA ; NH3 ; NO
WOS研究方向	Chemistry
语种	英语
WOS记录号	WOS:000424735000082
内容类型	期刊论文
源URL	[http://ir.ihep.ac.cn/handle/311005/285639]
专题	高能物理研究所_粒子天体物理中心高能物理研究所_多学科研究中心
作者单位	中国科学院高能物理研究所
推荐引用方式 GB/T 7714	Zeng, YW,Zheng LR,erson, JA,et al. Active Site Identification and Modification of Electronic States by Atomic-Scale Doping To Enhance Oxide Catalyst Innovation[J]. ACS CATALYSIS,2018,8(2):1399-1404.
APA	Zeng, YW.,郑黎荣.,erson, JA.,Xin, Y.,Zhang, NN.,...&Zheng, LR.(2018).Active Site Identification and Modification of Electronic States by Atomic-Scale Doping To Enhance Oxide Catalyst Innovation.ACS CATALYSIS,8(2),1399-1404.
MLA	Zeng, YW,et al."Active Site Identification and Modification of Electronic States by Atomic-Scale Doping To Enhance Oxide Catalyst Innovation".ACS CATALYSIS 8.2(2018):1399-1404.