期刊
APPLIED CATALYSIS B-ENVIRONMENTAL
卷 292, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.apcatb.2021.120155
关键词
Catalytic ozonation; Graphitic carbon nitride; Oxygen-containing functional groups; Structure-activity relationship; DFT calculation
资金
- National Key R&D Program of China [2017YFE0107200]
- Natural Science Foundation of China [51978326, 21925602]
- Fundamental Research Funds for the Central Universities [14380145]
The study found that increasing the C-O/C = O groups within appropriate range promotes the catalytic activity for ozonation, while the presence of excessive carboxyl groups has a negative impact on activity. Additionally, enhanced ozone adsorption on active sites was confirmed by DFT calculations.
Graphitic carbon nitride (g-C3N4) with varied oxygen doping levels was fabricated to investigate the quantitative relationship between oxygen-containing groups and activity of catalytic ozonation employing atrazine as a model pollutant. The regulation on both the types and the amounts of different oxygen-containing groups (C-O/C = O/ COOH) were achieved by simply varying the dosage of the oxalate precursor. The regression analysis showed that the increase of C-O/C = O groups within appropriate range promoted the catalytic activity for ozonation, while the presence of carboxyl groups induced by excessive oxygen doping exhibited adverse effect. Moreover, the corresponding quantitative structure-activity relationships were established. The electron-rich O centers of oxygen doped g-C3N4 (C-O/C = O) were identified as the active sites for catalytic ozonation, and the enhanced adsorption of ozone on the active sites were substantiated by DFT calculations. This study is believed to shed light upon the roles of different oxygen-containing functional groups in catalytic ozonation by carbonaceous catalysts.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据