| Computational Evidence for the Smallest Boron Nanotube |
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| 作者姓名： | Xian Jie LIN Dong Ju ZHANG Cheng Bu LIU |
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| 作者单位： | Xian Jie LIN，Dong Ju ZHANG，Cheng Bu LIU* Institute of Theoretical Chemistry，Shandong University，Jinan 250100 |
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| 摘 要： | One-dimensional boron nanostructures have being actively studied experimentally1 and theoretically2 in the recent years, due to their promising applications in field emission devices and high-temperature electronics. Amorphous3 and crystalline1 nanowires,…
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| 关 键 词： | 硼纳米棒 几何学构型 电子性质 密度泛函理论 热稳定性 |
| 收稿时间： | 2005-09-19 |
Computational Evidence for the Smallest Boron Nanotube |
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| Xian Jie LIN Dong Ju ZHANG Cheng Bu LIU.Computational Evidence for the Smallest Boron Nanotube[J].Chinese Chemical Letters,2006,17(6):851-852. |
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| Authors: | Xian Jie LIN Dong Ju ZHANG Cheng Bu LIU |
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| Abstract: | The structure of boron nanotubes (BNTs) was found not to be limited to hexagonal pyramidal structures. Based on density functional theory calculations we provided evidence for the smallest boron nanotube, a geometrical analog of the corresponding carbon nanotube. As shown by our calculations, the smallest BNT possesses highly structural, dynamical, and thermal stability, which should be interest for attempts at its synthesis. |
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| Keywords: | Boron nanotube geometrical configuration electronic property |
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