Influence of atomic coordination on the activity of lattice oxygen and catalytic oxidation of toluene over regular Cu2O crystalline
文献类型：期刊论文
| 作者 | Deng, Linlin2,3; Li, Mingtai3; Gao X(高鑫)3; Yi XK(衣晓坤)2,3; Zhao, Yang3; Yang, Yulong3; Zhao, Zitong3; Chen, Jiarui3; Dou, Baojuan3; Bin F(宾峰)1,2
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| 刊名 | JOURNAL OF HAZARDOUS MATERIALS
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| 出版日期 | 2025-02-15 |
| 卷号 | 484页码:12 |
| 关键词 | Toluene oxidation Cu 2 O catalyst Lattice oxygen Oxygen vacancy formation energy Atomic coordination |
| ISSN号 | 0304-3894 |
| DOI | 10.1016/j.jhazmat.2024.136796 |
| 通讯作者 | Dou, Baojuan(bjdou@tust.edu.cn) ; Bin, Feng(binfeng@imech.ac.cn) |
| 英文摘要 | VOCs oxidation over transition metal catalyst is commonly understood via the Mars-van Krevelen mechanism involving the crucial role of lattice oxygen (OL) activity, however, how it is influenced by atomic coordination is still unclear. Herein, we use model catalysts of Cu2O-cub, Cu2O-oct and Cu2O-dod with crystal planes of (100), (111) and (110), respectively, to investigate the OL activity and catalytic oxidation of toluene. The activity of Cu2O-oct is found to be the highest, followed by Cu2O-cub and Cu2O-dod. Experiments results combined with density functional theory show that, although low di-coordinated O atoms leads to the lowest surface oxygen vacancy formation energy (2.47 eV) and the highest surface OL activity of Cu2O-cub, it cannot determine the activity. The lowest bulk oxygen vacancy formation energy (3.16 eV) in Cu2O-oct terminated with tricoordinated O atoms and open surface can accelerate the migration and replenishment of OL, thereby promoting the catalytic activity. |
| 分类号 | 一类 |
| WOS关键词 | IN-SITU IR ; CO OXIDATION ; REACTION-MECHANISM ; MANGANESE OXIDES ; HIGH-PERFORMANCE ; MORPHOLOGY ; CEO2 ; VACANCIES ; CERIA ; FORMALDEHYDE |
| 资助项目 | Guangxi Key Research and Development Program[2021AB25028] ; Guangxi Key Research and Development Program[AB22035044] |
| WOS研究方向 | Engineering ; Environmental Sciences & Ecology |
| 语种 | 英语 |
| WOS记录号 | WOS:001377457200001 |
| 资助机构 | Guangxi Key Research and Development Program |
| 其他责任者 | Dou, Baojuan ; Bin, Feng |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/97783]  |
| 专题 | 力学研究所_高温气体动力学国家重点实验室 |
| 作者单位 | 1.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China; 3.Tianjin Univ Sci & Technol, Coll Marine & Environm Sci, Tianjin 300457, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Deng, Linlin,Li, Mingtai,Gao X,et al. Influence of atomic coordination on the activity of lattice oxygen and catalytic oxidation of toluene over regular Cu2O crystalline[J]. JOURNAL OF HAZARDOUS MATERIALS,2025,484:12. |
| APA | Deng, Linlin.,Li, Mingtai.,高鑫.,衣晓坤.,Zhao, Yang.,...&宾峰.(2025).Influence of atomic coordination on the activity of lattice oxygen and catalytic oxidation of toluene over regular Cu2O crystalline.JOURNAL OF HAZARDOUS MATERIALS,484,12. |
| MLA | Deng, Linlin,et al."Influence of atomic coordination on the activity of lattice oxygen and catalytic oxidation of toluene over regular Cu2O crystalline".JOURNAL OF HAZARDOUS MATERIALS 484(2025):12. |
入库方式： OAI收割
来源：力学研究所
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