Theoretical and experiment studies on the adsorption of formate species on the surface of catalyst
文献类型：期刊论文
| 作者 | Gao, Hongwei ; He, Hong ; Zhang, Changbin ; Yan, Tingxia |
| 刊名 | JOURNAL OF MOLECULAR STRUCTURE
 |
| 出版日期 | 2008-11-26 |
| 卷号 | 891期号:2015-01-03页码:242-246 |
| 关键词 | DFT In situ DRIFTS Simulated spectra Formate Cu-Al(2)O(3) catalyst |
| 英文摘要 | Density functional theory (DFT) calculations and in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) were performed to study the formation and adsorption of formate species over the Cu-Al(2)O(3) catalyst. The geometrical structures and vibration spectra of calculated models were obtained at the PBE1PBE level of DFT and compared with the corresponding experimental values. Theoretical calculations show that the calculated IR spectra are in good agreement with the experimental spectroscopic results. The mechanism of the catalyst deactivation and regeneration was also discussed during the process of the removal of HCHO on the Cu-Al(2)O(3) catalyst at the room temperature. (C) 2008 Elsevier B.V. All rights reserved. |
| WOS记录号 | WOS:000261537800036 |
| 源URL | [http://ir.rcees.ac.cn/handle/311016/21899]  |
| 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 | Gao, Hongwei,He, Hong,Zhang, Changbin,et al. Theoretical and experiment studies on the adsorption of formate species on the surface of catalyst[J]. JOURNAL OF MOLECULAR STRUCTURE,2008,891(2015-01-03):242-246. |
| APA | Gao, Hongwei,He, Hong,Zhang, Changbin,&Yan, Tingxia.(2008).Theoretical and experiment studies on the adsorption of formate species on the surface of catalyst.JOURNAL OF MOLECULAR STRUCTURE,891(2015-01-03),242-246. |
| MLA | Gao, Hongwei,et al."Theoretical and experiment studies on the adsorption of formate species on the surface of catalyst".JOURNAL OF MOLECULAR STRUCTURE 891.2015-01-03(2008):242-246. |
入库方式： OAI收割
来源：生态环境研究中心
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