Study of Microscopic Adsorption Modes of Zn(Ⅱ) on TiO2 Surface

Chem. J. Chinese Universities

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Study of Microscopic Adsorption Modes of Zn(Ⅱ) on TiO₂ Surface

YANG Yu-Huan¹, PAN Gang^1*, MA Xiao-Nan², CHEN Hao¹, ZHANG Mei-Yi¹, HE Guang-Zhi¹, LI Wei¹

1. State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, China;
2. Key Laboratory of Marine Chemistry Theory and Technology; Ministry of Education; Ocean University of China, Qingdao 266100, China

Received:2007-11-13 Revised:1900-01-01 Online:2009-02-10 Published:2009-02-10
Contact: PAN Gang

Abstract

Abstract: Microscopic adsorption modes of Zn(Ⅱ) on anatase TiO₂-water interface were studied using extended X-ray absorption fine structure(EXAFS) spectroscopy. Quantitative analysis of the EXAFS spectra showed that the microscopic structure of Zn(Ⅱ) on anatase TiO₂ is four coordinate complex, and there are at least two types of bonding based on the average Ti—Zn distances in the second sphere. Two different geometry configurations of single-corner(SC) and double-corner(DC) for adsorption on the(101) surface cluster were calculated using DFT method. The Zn—Ti distances are 0.369 nm and 0.335 nm for the single-corner adsorption mode and double-corner adsorption mode, respectively. Therefore, the EXAFS fitting data, R₁=0.371 nm, R₂=0.332 nm, can be well distinguished for SC and DC mode respectively. The calculation results also showed that the optimized Zn—O average distance of Zn—O tetrahedron is about 0.200 nm, which agree with the EXAFS results. These show that Zn was adsorbed onto TiO₂ surfaces in different metastable equilibrium state(MEA) under the same thermodynamic conditions.

Key words: Extended X-ray absorption fine structure(EXAFS), Density functional theory, Hydrated Zn, Anatase TiO₂, MEA state, Adsorption

CLC Number:

O647.31

TrendMD:

YANG Yu-Huan¹, PAN Gang^1*, MA Xiao-Nan², CHEN Hao¹, ZHANG Mei-Yi¹, HE Guang-Zhi¹, LI Wei¹. Study of Microscopic Adsorption Modes of Zn(Ⅱ) on TiO₂ Surface[J]. Chem. J. Chinese Universities, doi: .

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Study of Microscopic Adsorption Modes of Zn(Ⅱ) on TiO₂ Surface

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