Surface Structural Reconstruction for Optical Response in Iodine-Modified TiO2 Photocatalyst System

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	Surface Structural Reconstruction for Optical Response in Iodine-Modified TiO2 Photocatalyst System
	Zhang, LJ ; Zhou, J ; Li, J ; Liu, G ; Lin, X ; Mao, BH ; Liu, RD ; Zhang, S ; Wang, JQ
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2014
卷号	118 期号:25 页码:13726—13732
关键词	VISIBLE-LIGHT PHOTOCATALYSIS GENERALIZED GRADIENT APPROXIMATION TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET DOPED TIO2 TITANIUM-DIOXIDE ABSORPTION ANATASE OXIDE NANOPARTICLES
ISSN号	1932-7447
通讯作者	zhangshuo@sinap.ac.cn ; wangjianqiang@sinap.ac.cn
英文摘要	We report an alternative mechanism for the optical response of an iodine-modified anatase TiO2 photocatalyst material. Unlike the general realization that the iodine atom provides impurity levels within the optical band gap, we suggest that a distorted surface structure plays a dominant role. Anatase pure TiO2 and iodine-modified TiO2 (1-TiO2) nanocrystals were synthesized by a simple solvothermal method, and I-TiO2 exhibited an extended absorption edge up to 550 nm. Employing iodine K-edge X-ray absorption fine structure (XAFS), we demonstrate that iodine is not incorporated into the nanoparticle interior but exists in the form of IO3- groups at the surface. Furthermore, this IO3- cluster adsorption largely induces a disordered structure, as revealed by Ti 2p(3/2) X-ray photoelectron spectroscopy, high-resolution transmission electron microscopy, and Ti K-edge XAFS data fitting. Density functional theory calculation indicates that this distorted structure can form a midgap state, which should be responsible for its excellent optical property. This finding represents a promising route for improving the optical response of the nanophotocatalyst system via surface treatment.
收录类别	SCI
语种	英语
WOS记录号	WOS:000338184300046
公开日期	2015-03-13
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/14444]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
推荐引用方式 GB/T 7714	Zhang, LJ,Zhou, J,Li, J,et al. Surface Structural Reconstruction for Optical Response in Iodine-Modified TiO2 Photocatalyst System[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2014,118(25):13726—13732.
APA	Zhang, LJ.,Zhou, J.,Li, J.,Liu, G.,Lin, X.,...&Wang, JQ.(2014).Surface Structural Reconstruction for Optical Response in Iodine-Modified TiO2 Photocatalyst System.JOURNAL OF PHYSICAL CHEMISTRY C,118(25),13726—13732.
MLA	Zhang, LJ,et al."Surface Structural Reconstruction for Optical Response in Iodine-Modified TiO2 Photocatalyst System".JOURNAL OF PHYSICAL CHEMISTRY C 118.25(2014):13726—13732.