The correlation among structure,chemical bond and stability of system of kaolnit e-gold is studied by using density function and discrete variation method (DET -DVM).Ten models are selected without Au and with Au in different directions an d sites.The results show that the models with Au in the side of kaolnite layers are more stable than those with Au above or bellow the layer where the differenc e of Au-O covalent bond strength is the main effect.In the models with Au in th e side,the models with Au near to Al are more stable than those with Au near to the vacancy without Al,to which the differences of the charge distribution for a ll atoms in the models,Au-O ionic bond and Si-O covalent bond strength are all the important effecte.
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