Active Site Identification and Modification of Electronic States by Atomic-Scale Doping To Enhance Oxide Catalyst Innovation
文献类型：期刊论文
| 作者 | Zeng, YW; Zheng LR(郑黎荣) ; erson, JA; Xin, Y; Zhang, NN; Li, Q; Zhang, ZL; Cao, XM; Zheng, LR
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| 刊名 | ACS CATALYSIS
 |
| 出版日期 | 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 |
| 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. |
入库方式： OAI收割
来源：高能物理研究所
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