Influence of atomic coordination on the activity of lattice oxygen and catalytic oxidation of toluene over regular Cu2O crystalline | |
Deng, Linlin1,2; Li, Mingtai1; Gao X(高鑫)1; Yi XK(衣晓坤)1,2; Zhao, Yang1; Yang, Yulong1; Zhao, Zitong1; Chen, Jiarui1; Dou, Baojuan1; Bin F(宾峰)2,3![]() | |
Corresponding Author | Dou, Baojuan(bjdou@tust.edu.cn) ; Bin, Feng(binfeng@imech.ac.cn) |
Source Publication | JOURNAL OF HAZARDOUS MATERIALS (IF:7.65[JCR-2018],7.336[5-Year]) |
2025-02-15 | |
Volume | 484Pages:12 |
ISSN | 0304-3894 |
Abstract | 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. |
Keyword | Toluene oxidation Cu 2 O catalyst Lattice oxygen Oxygen vacancy formation energy Atomic coordination |
DOI | 10.1016/j.jhazmat.2024.136796 |
Indexed By | SCI ; EI |
Language | 英语 |
WOS ID | WOS:001377457200001 |
WOS Keyword | IN-SITU IR ; CO OXIDATION ; REACTION-MECHANISM ; MANGANESE OXIDES ; HIGH-PERFORMANCE ; MORPHOLOGY ; CEO2 ; VACANCIES ; CERIA ; FORMALDEHYDE |
WOS Research Area | Engineering ; Environmental Sciences & Ecology |
WOS Subject | Engineering, Environmental ; Environmental Sciences |
Funding Project | Guangxi Key Research and Development Program[2021AB25028] ; Guangxi Key Research and Development Program[AB22035044] |
Funding Organization | Guangxi Key Research and Development Program |
Classification | 一类 |
Ranking | 1 |
Contributor | Dou, Baojuan,宾峰 |
Citation statistics | |
Document Type | 期刊论文 |
Identifier | http://dspace.imech.ac.cn/handle/311007/97784 |
Collection | 空天飞行高温气动全国重点实验室 |
Affiliation | 1.Tianjin Univ Sci & Technol, Coll Marine & Environm Sci, Tianjin 300457, Peoples R China; 2.Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China; 3.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China |
Recommended Citation 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. |
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