Preparation of magnetic Fe3O4@SiO2@mTiO(2)-Au spheres with well-designed microstructure and superior photocatalytic activity

	Preparation of magnetic Fe3O4@SiO2@mTiO(2)-Au spheres with well-designed microstructure and superior photocatalytic activity
	Wang, D. D.; J. H. Yang; X. Y. Li; H. J. Zhai; J. H. Lang and H. Song
	2016
发表期刊	Journal of Materials Science
卷号	51 期号:21
摘要	The on-line detection and treatment of atmospheric formaldehyde (HCHO) at real-time levels, especially in indoor environments, is becoming more and more important. Herein, by first principles calculations, a highly active sub-stoichiometric WO2.9 (010) surface for HCHO sensing and treatment has been demonstrated. The exposed one-coordinated terminal O atoms (O-1c), two-coordinated bridge O atoms (O-2c) and five-coordinated W atoms (W-5c) at the surface are found to be active sites for HCHO adsorption. HCHO molecules can anchor on the WO2.9 (010) surface through newly formed O-F-W-5c and/or C-F-O-1c/O-2c/W-5c bonds, forming 'ridge-like'/' hobbyhorse-like' or slantwise adsorption configurations. The absorbed HCHO molecules may exchange electrons with the WO2.9 (010) surface and change the conductivity of the surface, which is the working mechanism of WO2.9 based sensors. Furthermore, Cl-NEB results suggest that the absorbed HCHO molecules tend to dissociate under moderate excitation (for example, solar visible light) at room temperature due to the minimum energy barrier of only 0.54 eV. The HCHO dissociation results in an H adatom bond to a surface O-1c atom and a formate or formyl group chemisorbed to the surface with elongated O-F-W-5c and C-F-W-5c bonds, which means that O-F-W-5c and C-F-W-5c bonds are active and prone to breaking. These results demonstrate the potential of WO2.9 in HCHO sensing and
文章类型	期刊
收录类别	SCI ; EI
语种	英语
文献类型	期刊论文
条目标识符	http://ir.ciomp.ac.cn/handle/181722/57223
专题	中科院长春光机所知识产出
推荐引用方式 GB/T 7714	Wang, D. D.,J. H. Yang,X. Y. Li,et al. Preparation of magnetic Fe3O4@SiO2@mTiO(2)-Au spheres with well-designed microstructure and superior photocatalytic activity[J]. Journal of Materials Science,2016,51(21).
APA	Wang, D. D.,J. H. Yang,X. Y. Li,H. J. Zhai,&J. H. Lang and H. Song.(2016).Preparation of magnetic Fe3O4@SiO2@mTiO(2)-Au spheres with well-designed microstructure and superior photocatalytic activity.Journal of Materials Science,51(21).
MLA	Wang, D. D.,et al."Preparation of magnetic Fe3O4@SiO2@mTiO(2)-Au spheres with well-designed microstructure and superior photocatalytic activity".Journal of Materials Science 51.21(2016).

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