DFT and DRIFTS studies on the adsorption of acetate on the Ag/Al2O3 catalyst
文献类型：期刊论文
| 作者 | Gao, Hongwei; Yan, Tingxia; Yu, Yunbo; He, Hong |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2008-05-01 |
| 卷号 | 112期号:17页码:6933-6938 |
| 英文摘要 | The adsorption of acetate species (CH3COO-) on the Ag/Al2O3 catalyst has been studied using in situ diffuse reflectance infrared Fourier transform spectroscopy and Density functional theory (DFT). The geometrical structures and vibrational spectra 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. |
| WOS记录号 | WOS:000255292400047 |
| 源URL | [http://ir.rcees.ac.cn/handle/311016/21884]  |
| 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,Yan, Tingxia,Yu, Yunbo,et al. DFT and DRIFTS studies on the adsorption of acetate on the Ag/Al2O3 catalyst[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2008,112(17):6933-6938. |
| APA | Gao, Hongwei,Yan, Tingxia,Yu, Yunbo,&He, Hong.(2008).DFT and DRIFTS studies on the adsorption of acetate on the Ag/Al2O3 catalyst.JOURNAL OF PHYSICAL CHEMISTRY C,112(17),6933-6938. |
| MLA | Gao, Hongwei,et al."DFT and DRIFTS studies on the adsorption of acetate on the Ag/Al2O3 catalyst".JOURNAL OF PHYSICAL CHEMISTRY C 112.17(2008):6933-6938. |
入库方式： OAI收割
来源：生态环境研究中心
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