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Acta Physico-Chimica Sinica  2009, Vol. 25 Issue (10): 2034-2038    DOI: 10.3866/PKU.WHXB20090911
Article     
Mechanism of Arsenate (V) Adsorption on TiO2 Surfaces
ZHANG Mei-Yi, HE Guang-Zhi, DING Cheng-Cheng, CHEN Hao, PAN Gang
State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, P. R. China
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Abstract  

Adsorption of arsenate on TiO2 surfaces was investigated using extended X-ray absorption fine structure (EXAFS) spectroscopy and density functional theory (DFT) calculation. The adsorption process was independent of ion strength, indicating the formation of inner-sphere complexes of arsenate on TiO2 surfaces. EXAFS analysis showed that the —AsO4 tetrahedral geometry remained relatively rigid before and after adsorption with an As-O distance (R) of (0.169±0.001) nm. When —AsO4 approached TiO2 surfaces, the As—O—Ti bond formed through the O atoms in —AsO4 clusters. Furthermore, based on the combined results from EXAFS and DFT, As(V) in the “equilibrium”adsorption samples was in at least two metastable equilibrium adsorption (MEA) states: double corner (DC) linkage mode (R1=(0.321±0.002) nm, stronger adsorption) and single corner (SC) linkage mode (R2=(0.360±0.002) nm, weak adsorption). The proportion of coordination number between DC and SC MEA states (CN1/CN2) decreased from 3.3 to 1.6 as the surface coverage increased from 9.79 to 28.0 mg·g-1. This result indicated that at low surface loading arsenate was adsorbed in more stable DC MEA state, but As(V) tended to be adsorbed in SC MEA state as surface coverage increased.



Key wordsTiO2      As(V)      Adsorption      Extended X-ray absorption fine structure      Density functional theory      Microscopic adsorption mode     
Received: 13 April 2009      Published: 14 July 2009
MSC2000:  O647  
Corresponding Authors: PAN Gang     E-mail: gpan@rcees.ac.cn
Cite this article:

ZHANG Mei-Yi, HE Guang-Zhi, DING Cheng-Cheng, CHEN Hao, PAN Gang. Mechanism of Arsenate (V) Adsorption on TiO2 Surfaces. Acta Physico-Chimica Sinica, 2009, 25(10): 2034-2038.

URL:

http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/10.3866/PKU.WHXB20090911     OR     http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/Y2009/V25/I10/2034

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