Adsorption and Removal of Hg on Pd Doped CeO2 Surfaces

doi:10.11944/j.issn.1000-0518.2016.08.150359

Chinese Journal of Applied Chemistry ›› 2016, Vol. 33 ›› Issue (8): 960-967.DOI: 10.11944/j.issn.1000-0518.2016.08.150359

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Adsorption and Removal of Hg on Pd Doped CeO₂ Surfaces

MENG Shuaiqi,ZHOU Jinsong(),WANG Xiaolong,GAO Xiang,LUO Zhongyang

State Key Laboratory of Clean Energy Utilization,Zhejiang University,Hangzhou 310027,China

Received:2016-10-10 Accepted:2016-05-10 Published:2016-07-21 Online:2016-07-21
Contact: ZHOU Jinsong
Supported by:
Supported by the National Natural Science Foundation of China(No.51576173, No.51176171), the National Nonprofit Special Fund for Environmental Protection Research in the Public Interest(No.201309018)

Abstract

Abstract:

The adsorption mechanism of Hg on pure CeO₂ surface was studied by the density functional theory. The adsorption energy of Hg on different surfaces and different sites of CeO₂ was calculated by two-dimensional supercell model of p(3×3). The results show that the adsorption capacity of Hg on pure CeO₂ is weak, which is a physical adsorption, and the Hg atom and CeO₂ do not form effective chemical bonds. In order to further study the adsorption mechanism of Hg on CeO₂ related surface, the adsorption mechanism of Hg on Pd doped CeO₂(Pd-CeO₂) surface was also studied. The results show that the adsorption capacity of Hg on Pd-CeO₂ is strong, which is a chemical adsorption, and the Hg atom and Pd-CeO₂ form effective chemical bonds. The adsorption capacity of Hg on CeO₂ surface is enhanced due to the doping of Pd. In order to further quantify the adsorption efficiency of Hg on the surface of pure CeO₂ and Pd-CeO₂, the experimental study has been carried on. The experimental results show that the adsorption efficiency of Hg on pure CeO₂ is low, and doping of Pd can effectively improve the adsorption efficiency of CeO₂, which are consistent with the results of theoretical calculation.

Key words: density functional theory, mercury, CeO₂, Pd-CeO₂, adsorption mechanism

MENG Shuaiqi, ZHOU Jinsong, WANG Xiaolong, GAO Xiang, LUO Zhongyang. Adsorption and Removal of Hg on Pd Doped CeO₂ Surfaces[J]. Chinese Journal of Applied Chemistry, 2016, 33(8): 960-967.

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Adsorption and Removal of Hg on Pd Doped CeO₂ Surfaces

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