Role of silver species in H-2-NH3-SCR of NOx over Ag/Al2O3 catalysts: Operando spectroscopy and DFT calculations
文献类型：期刊论文
| 作者 | Xu, Guangyan ; Wang, Honghong; Yu, Yunbo; He, Hong
|
| 刊名 | JOURNAL OF CATALYSIS
 |
| 出版日期 | 2021-03 |
| 卷号 | 395页码:1-9 |
| ISSN号 | 0021-9517 |
| 关键词 | NOx H-2-NH3-SCR Ag/Al2O3 Operando DRIFTS-MS Operando DR-UV-Vis DFT calculations |
| 英文摘要 | The role of silver species in the H-2-assisted NH3 selective catalytic reduction of NOx (H-2-NH3-SCR) over Ag/Al2O3 catalysts was investigated by operando spectroscopy (DRIFTS-MS and DR-UV-Vis) and Density Functional Theory (DFT) calculation. UV-Vis analysis showed that several kinds of silver species were present on the Ag/Al2O3, including dispersed silver cations, partially oxidized silver clusters, metallic silver clusters, and silver nanoparticles. Operando DRIFTS-MS experiments showed that the reduction of NOx was dependent on the formation rate of nitrates, which was closely related to the silver content, H-2 concentration, and reaction temperature. Notably, operando DR-UV-Vis experiments unambiguously confirmed that the metallic silver clusters were the active sites for nitrates formation, and the reduction of silver nitrates was much slower than NO oxidation. DFT calculations further revealed that reducing silver nitrates required higher energy barriers than NO oxidation, while H-2 dissociation could occur on metallic silver clusters with a moderate energy barrier. In conclusion, metallic silver clusters contributed to the formation of nitrates and H-2 dissociation, and the reduction of silver nitrates was the rate-determining step in the overall H-2-NH3-SCR reaction. (C) 2021 Elsevier Inc. All rights reserved. |
| WOS研究方向 | Chemistry, Physical ; Engineering, Chemical |
| 源URL | [http://ir.rcees.ac.cn/handle/311016/46069]  |
| 专题 | 生态环境研究中心_水污染控制实验室 |
| 作者单位 | 1.Chinese Acad Sci, Ctr Excellence Reg Atmospher Environm, Inst Urban Environm, Xiamen 361021, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Res Ctr Ecoenvironm Sci, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100085, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, Guangyan,Wang, Honghong,Yu, Yunbo,et al. Role of silver species in H-2-NH3-SCR of NOx over Ag/Al2O3 catalysts: Operando spectroscopy and DFT calculations[J]. JOURNAL OF CATALYSIS,2021,395:1-9. |
| APA | Xu, Guangyan,Wang, Honghong,Yu, Yunbo,&He, Hong.(2021).Role of silver species in H-2-NH3-SCR of NOx over Ag/Al2O3 catalysts: Operando spectroscopy and DFT calculations.JOURNAL OF CATALYSIS,395,1-9. |
| MLA | Xu, Guangyan,et al."Role of silver species in H-2-NH3-SCR of NOx over Ag/Al2O3 catalysts: Operando spectroscopy and DFT calculations".JOURNAL OF CATALYSIS 395(2021):1-9. |
入库方式： OAI收割
来源：生态环境研究中心
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