Experimental and theoretical studies of surface nitrate species on Ag/Al(2)O(3) using DRIFTS and DFT
文献类型：期刊论文
| 作者 | Zhang, Xiuli; He, Hong; Gao, Hongwei; Yu, Yunbo |
| 刊名 | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
 |
| 出版日期 | 2008-12-15 |
| 卷号 | 71期号:4页码:1446-1451 |
| 关键词 | DFT DRIFTS TPD Nitrate Ag/Al(2)O(3) |
| 英文摘要 | Surface nitrate (NO(3)(-)) species on the Ag/Al(2)O(3) play an important role in the selective catalytic reduction (SCR) of NO(x). In this study, the formation and configuration of surface nitrate NO(3)(-)(ads) species on Ag/Al(2)O(3) and Al(2)O(3) in the oxidation of NO have been studied using in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and density functional theory (DFT) calculations. Different nitrates species (bridging, bidentate and monodentate) were observed by in situ DRIFTS and validated by DFT calculations results. Attention was especially focused on the proposal of two different bidentate nitrates species (a normal bidentate and an isolated bidentate). In addition, the thermal stability of different surface nitrate species was discussed based on the adsorption energies calculations, DRIFTS, and temperature-programmed desorption (TPD) results. It was suggested that the decomposition and desorption of the surface nitrate species could be controlled by kinetics. (c) 2008 Elsevier B.V. All rights reserved. |
| WOS记录号 | WOS:000261249100045 |
| 源URL | [http://ir.rcees.ac.cn/handle/311016/21890]  |
| 专题 | 生态环境研究中心_大气环境科学实验室 |
| 推荐引用方式 GB/T 7714 | Zhang, Xiuli,He, Hong,Gao, Hongwei,et al. Experimental and theoretical studies of surface nitrate species on Ag/Al(2)O(3) using DRIFTS and DFT[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2008,71(4):1446-1451. |
| APA | Zhang, Xiuli,He, Hong,Gao, Hongwei,&Yu, Yunbo.(2008).Experimental and theoretical studies of surface nitrate species on Ag/Al(2)O(3) using DRIFTS and DFT.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,71(4),1446-1451. |
| MLA | Zhang, Xiuli,et al."Experimental and theoretical studies of surface nitrate species on Ag/Al(2)O(3) using DRIFTS and DFT".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 71.4(2008):1446-1451. |
入库方式： OAI收割
来源：生态环境研究中心
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