| Chemial Bond and Stability of Adsorption of [Au（ AsS3 ）]^2- on the Surface of Kaolinite |
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| 引用本文： | MINXin-min CHENYun HONGHan-lie. Chemial Bond and Stability of Adsorption of [Au（ AsS3 ）]^2- on the Surface of Kaolinite[J]. 武汉理工大学学报(材料科学英文版), 2004, 19(1): 5-8. DOI: 10.1007/BF02838350 |
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| 作者姓名： | MINXin-min CHENYun HONGHan-lie |
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| 摘 要： | Density function theory and discrete variation method (DFT-DVM) were used to study the adsorption of [Au( AsS3 )]^2- on the surface of kaolinite. The correlation among structure, chemical bond and stability was discussed. Several models were selected with [ Au( AsS3)]^2- in different directions and sites. The results show that the models with gold on the edge of kaolinite basal layer contain pincerlike bond among gold and several oxygen atoms and form strong Au - 0 covalent bond, so these models are more stable than those with gold above or under the layer. The models with gold near to [ AlO2(OH)4] octahedra are more stable than those with gold near to the vacancy withont aluminium. These two stable tendencies in kaolinite- [ Au( AsS3)]^2- are stronger than that in kaolinite-Au systems. The interaction between [ Au( AsS3 )]^2- and kaolinite is stronger than that between gold and kaolinite, and this interaction is strong enough to form the surface complexes.
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| 关 键 词： | 化学粘结剂 稳定性 [Au（AsS3）]^2- 高岭石 吸附机制 |
| 收稿时间： | 2002-11-04 |
| 修稿时间： | 2003-12-02 |
Chemical bond and stability of adsorption of [Au(AsS3)]2− on the surface of kaolinite |
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| Min Xin-min,Chen Yun,Hong Han-lie. Chemical bond and stability of adsorption of [Au(AsS3)]2− on the surface of kaolinite[J]. Journal of Wuhan University of Technology. Materials Science Edition, 2004, 19(1): 5-8. DOI: 10.1007/BF02838350 |
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| Authors: | Min Xin-min Chen Yun Hong Han-lie |
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| Affiliation: | (1) State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, 430070 Wuhan, China |
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| Abstract: | Density function theory and discrete variation method (DFT-DVM) were used to study the adsorption of [Au(AsS3)]2− on the surface of kaolinite. The correlation among structure, chemical bond and stability was discussed. Several models were selected with [Au(AsS3)]2− in different directions and sites. The results show that the models with gold on the edge of kaolinite basal layer contain pincerlike bond among gold and several oxygen atoms and form strong Au−O covalent bond, so these models are more stable than those with gold above or under the layer. The models with gold near to [AlO2(OH)4] octahedra are more stable than those with gold near to the vacancy without aluminium. These two stable tendencies in kaolinite-[Au(AsS3)]2− are stronger than that in kaolinite-Au systems. The interaction between [Au(AsS3)]2− and kaolinite is stronger than that between gold and kaolinite, and this interaction is strong enough to form the surface complexes. MIN Xin-min: Born in 1953 Funded by the National Natural Science Foundation of China (No. 40172017) |
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| Keywords: | kaolinite-[Au(AsS3)]2− structure chemical bond stability quantum chemistry calculation |
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