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bigbirdw铜虫 (小有名气)
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[交流]
关于核壳结构中的计算
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| 在制备核壳纳米材料时，我遇到了问题，虽然查阅了一些文献，可还是弄不懂壳的前驱体加入的量与壳的厚度的计算，请大侠们给予指点 |
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元雄
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andy-lau
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hzzhong
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8楼2007-07-25 10:51:42
bigbirdw
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我不知道三楼的仁兄，是不是拜读过1997年的M.G.Bawendi的文章，文章中提到 The amounts of Zn and S precursors needed to grow a ZnS shell of desired thickness for each CdSe sample were determined as follows: First, the average radius of the CdSe dots was estimated from TEM or SAXS measurements. Next, the ratio of ZnS to CdSe necessary to form a shell of desired thickness was calculated based on the ratio of the shell volume to that of the core assuming a spherical core and shell and taking into account the bulk lattice parameters of CdSe and ZnS. [ Last edited by bigbirdw on 2007-7-25 at 11:06 ] |
9楼2007-07-25 10:51:57
bigbirdw
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这有个实例(JACS,2003,125,12567-12575)，我算的与文献不符，希望大家来提示一下 The amount of cadmium or sulfur precursors required for each layer was determined by the number of the surface atoms of a given size of a core/shell nanocrystal. Because there is only about 5-6% lattice mismatch between CdSe and CdS bulk crystals, the calculations were based on the wurtzite structure of CdSe nanocrystals. The average thickness of one monolayer of CdS was taken as 0.35 nm, so one additional layer growth would increase the diameter of a nanocrystal by 0.7 nm. For example, in a typical experiment with 1 *10-5 mmol of 3.7 nm core, 2.13*10-3 mmol of Cd and S precursors is needed for the first layer of the shell growth, |
10楼2007-07-25 11:22:20
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