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| A promising catalytic solution of NO reduction by CO using g-C3N4/TiO2: A DFT study | |
| Ren, Yuehong1; Han, Qingzhen2; Yang, Jie3; Zhao, Yuehong4; Xie, Yongbing4; Wen, Hao4; Jiang, Zhaotan1 | |
| 2022-03-15 | |
| Source Publication | JOURNAL OF COLLOID AND INTERFACE SCIENCE
 |
| ISSN | 0021-9797 |
| Volume | 610Pages:152-163 |
| Abstract | The direct catalytic reduction of nitric oxide (NO) by carbon monoxide (CO) to form harmless N-2 and CO2 is an ideal strategy to simultaneously remove both these hazardous gases. To investigate the feasibility of using graphitic carbon nitride/titanium dioxide (g-C3N4/TiO2) to catalyze the NO reduction by CO, we systematically explore the effect of the interfacial coupling between g-C3N4 and TiO2 on the photo-induced carrier separation, the light absorption, and the surface reaction for the NO reduction by using density functional theory. The g-C3N4/TiO2 is predicted to have a better photocatalytic activity for NO reduction than g-C3N4, due to the enhanced light absorption intensity and the accelerated separation of the photo excited electron-hole pairs. By comparing the reaction routes on g-C3N4/TiO2 and g-C3N4, the results indicate that the introduction of TiO2 can keep the surface reaction process intact with the NO dissociation (N2O formation) being the rate-determining (crucial) step. Moreover, TiO2 can facilitate the desorption of NO reduction products, avoiding the deactivation of g-C3N4. This work shows that the composition of TiO2 into g-C3N4 provides a promising catalyst in NO reduction by CO. (C) 2021 Elsevier Inc. All rights reserved. |
| Keyword | g-C3N4/TiO2 NO reduction CO Reaction mechanism Density functional theory |
| DOI | 10.1016/j.jcis.2021.12.034 |
| Language | 英语 |
| WOS Keyword | ENHANCED PHOTOCATALYTIC ACTIVITY ; HYBRID PHOTOCATALYST ; OPTICAL-ABSORPTION ; HETEROSTRUCTURE ; NANOCOMPOSITE ; TIO2 ; MECHANISM ; GRAPHENE ; SURFACE ; SOLIDS |
| Funding Project | National Natural Science Foun-dation of China[11774029] |
| WOS Research Area | Chemistry |
| WOS Subject | Chemistry, Physical |
| Funding Organization | National Natural Science Foun-dation of China |
| WOS ID | WOS:000750147400002 |
| Publisher | ACADEMIC PRESS INC ELSEVIER SCIENCE |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.ipe.ac.cn/handle/122111/51879 |
| Collection | 中国科学院过程工程研究所 |
| Corresponding Author | Han, Qingzhen; Jiang, Zhaotan |
| Affiliation | 1.Beijing Inst Technol, Sch Phys, Beijing 100081, Peoples R China 2.Beijing Acad Quantum Informat Sci, Beijing 100193, Peoples R China 3.Shandong Graphenjoy Adv Mat Co Ltd, Dezhou 253072, Peoples R China 4.Chinese Acad Sci, Inst Proc Engn, Div Environm Technol & Engn, Beijing 100190, Peoples R China |
| Recommended Citation GB/T 7714 | Ren, Yuehong,Han, Qingzhen,Yang, Jie,et al. A promising catalytic solution of NO reduction by CO using g-C3N4/TiO2: A DFT study[J]. JOURNAL OF COLLOID AND INTERFACE SCIENCE,2022,610:152-163. |
| APA | Ren, Yuehong.,Han, Qingzhen.,Yang, Jie.,Zhao, Yuehong.,Xie, Yongbing.,...&Jiang, Zhaotan.(2022).A promising catalytic solution of NO reduction by CO using g-C3N4/TiO2: A DFT study.JOURNAL OF COLLOID AND INTERFACE SCIENCE,610,152-163. |
| MLA | Ren, Yuehong,et al."A promising catalytic solution of NO reduction by CO using g-C3N4/TiO2: A DFT study".JOURNAL OF COLLOID AND INTERFACE SCIENCE 610(2022):152-163. |
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