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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 PublicationJOURNAL OF COLLOID AND INTERFACE SCIENCE
ISSN0021-9797
Volume610Pages:152-163
AbstractThe 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.
Keywordg-C3N4/TiO2 NO reduction CO Reaction mechanism Density functional theory
DOI10.1016/j.jcis.2021.12.034
Language英语
WOS KeywordENHANCED PHOTOCATALYTIC ACTIVITY ; HYBRID PHOTOCATALYST ; OPTICAL-ABSORPTION ; HETEROSTRUCTURE ; NANOCOMPOSITE ; TIO2 ; MECHANISM ; GRAPHENE ; SURFACE ; SOLIDS
Funding ProjectNational Natural Science Foun-dation of China[11774029]
WOS Research AreaChemistry
WOS SubjectChemistry, Physical
Funding OrganizationNational Natural Science Foun-dation of China
WOS IDWOS:000750147400002
PublisherACADEMIC PRESS INC ELSEVIER SCIENCE
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Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/51879
Collection中国科学院过程工程研究所
Corresponding AuthorHan, Qingzhen; Jiang, Zhaotan
Affiliation1.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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