Promoted Activity of Surface Hydroxyls on gamma-Al2O3 Mineral Dust with the Coexistence of SO2 and NH3
文献类型：期刊论文
| 作者 | Li, Hao ; Xue, Haobo; Chu, Biwu; Ma, Qingxin; He, Hong
|
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY LETTERS
 |
| 出版日期 | 2022 |
| 卷号 | 13页码:10335-10341 |
| ISSN号 | 1948-7185 |
| 英文摘要 | Sulfate and ammonium formed on mineral dust can be mutually accelerated through the heterogeneous reactions of coexisting SO2 and NH3. However, little is known about the underlying mechanism, especially the pivotal reactive sites. Using combined Born-Oppenheimer molecular dynamics simulations and density functional theory calculations, the results show that, compared to that of SO2 or NH3 alone on the gamma-Al2O3 surface, the increased level of formation of sulfate and ammonium can be attributed to the promoted activity of the surface-bridged hydroxyl with the coexistence of SO2 and NH3. In the specific mechanism, the O and H of the surface-bridged hydroxyl group are attacked by the adjacent SO2 and NH3, respectively, which directly enhances the formation of absorbed sulfite and ammonium, and indirectly facilitates the production of sulfate by oxidation of atmospheric O2. The proposed mechanisms can be broadly applied to other aluminum-based suspended dust particles, such as kaolinite, montmorillonite, and clay dust. |
| 源URL | [https://ir.rcees.ac.cn/handle/311016/48458]  |
| 专题 | 生态环境研究中心_大气污染控制中心 |
| 作者单位 | 1.North China Electric Power University 2.Chinese Academy of Sciences 3.Research Center for Eco-Environmental Sciences (RCEES) 4.University of Chinese Academy of Sciences, CAS 5.Institute of Urban Environment, CAS |
| 推荐引用方式 GB/T 7714 | Li, Hao,Xue, Haobo,Chu, Biwu,et al. Promoted Activity of Surface Hydroxyls on gamma-Al2O3 Mineral Dust with the Coexistence of SO2 and NH3[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2022,13:10335-10341. |
| APA | Li, Hao,Xue, Haobo,Chu, Biwu,Ma, Qingxin,&He, Hong.(2022).Promoted Activity of Surface Hydroxyls on gamma-Al2O3 Mineral Dust with the Coexistence of SO2 and NH3.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,13,10335-10341. |
| MLA | Li, Hao,et al."Promoted Activity of Surface Hydroxyls on gamma-Al2O3 Mineral Dust with the Coexistence of SO2 and NH3".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 13(2022):10335-10341. |
入库方式： OAI收割
来源：生态环境研究中心
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