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yjh6887

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在图4中,我们可以看到随着接枝数量增加,单壁氮化硼纳米(SWBNNTs)中央外层电子密度表现出明显规律性变化。如:在N=2的图中,更多的外层电子偏向左边的接枝处。在N=4的图中,因外层电子向两边接枝处转移,造成氮化硼纳米管中央电子密度明显减少。在N=6的图中,电子转移情况类似N=4的情况,但内层电子局域性有所减弱,导致部分s电子被激发成p电子,增大轴向电子流动性,同时可表现更多的sp2杂化轨道的形成。

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lijz013

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yjh6887(金币+8,VIP+0):谢谢你第一个回应 7-10 16:38
In figure 4th,We can see that with the increase in the number of graft, single-walled nano-boron nitride (SWBNNTs) central electron density of the outer regularity of the changes shows that。For example,N = 2 in the map, the more biased towards the left side of the outer electron g-Office。N = 4 in the chart, because the outer electron transfer to the graft on both sides, resulting in boron nitride nanotubes central electron density decreased significantly.N = 6 in the diagram, the electron transfer similar to the case of N = 4, but the inner layer of the electronic local weakening, some were excited into s e p e, increasing the axial electron mobility, while the performance of more sp2 hybrid orbital formation
2楼2009-07-10 00:08:04
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MCWANDE

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yjh6887(金币+10,VIP+0):谢谢你能认真对待我的求助 7-10 16:39
In Figure 4 one can see that with the increased number of grafting sites the electron density of the single-walled boron nitride nanotubes (SWBNNTs) varied regularly. For instance, for N=2 more outer shell electrons migrated to the grafting sites on the left side. For N=4 due to the migration of outer shell electrons to grafting sites on both ends, the electron density in the middle part of the SWBNNTs was reduced dramatically. In the case of N=6 although the electron migration resembled the case of N=4, the electron localization was diminished. This has resulted in the excitation of some of s electrons to p electrons, leading to improvement in electron mobility with formation of SP2 hybrid orbitals.

[ Last edited by MCWANDE on 2009-7-10 at 06:42 ]
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3楼2009-07-10 06:41:40
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monitor2885

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yjh6887(金币+12,VIP+0):还不错,谢谢! 7-10 16:40
在图4中,我们可以看到随着接枝数量增加,单壁氮化硼纳米(SWBNNTs)中央外层电子密度表现出明显规律性变化。如:在N=2的图中,更多的外层电子偏向左边的接枝处。在N=4的图中,因外层电子向两边接枝处转移,造成氮化硼纳米管中央电子密度明显减少。在N=6的图中,电子转移情况类似N=4的情况,但内层电子局域性有所减弱,导致部分s电子被激发成p电子,增大轴向电子流动性,同时可表现更多的sp2杂化轨道的形成。

As is shown in Figure 4, central outer electron density in single-walled boron nano-turbes (SWBNNTs) showed regular changing as graft increased. For example, in figure when N=2, more outside electrons trended towards left side of graft. While, N=4 in chart, central electron density of SWBNNTs decreased significantly because outer electrons were transferred to graft for both sides. When N=6, the electron transfer was similar to the case of N = 4, but inner layer electronic local was weakened so that parts of electrons in S layer was excited into P electrons, increasing axial electron mobility, meanwhile more performances of sp2 hybrid orbital formation were completed.
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4楼2009-07-10 10:54:06
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