| 低维硼碳纳米材料第一原理研究 |
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| 引用本文： | 倪军,杨再林.低维硼碳纳米材料第一原理研究[J].中国科学:物理学 力学 天文学,2011(4):369-376. |
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| 作者姓名： | 倪军 杨再林 |
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| 作者单位： | 清华大学物理系原子分子纳米科学重点实验室; |
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| 基金项目： | 国家自然科学基金资助项目(批准号:10974107) |
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| 摘 要： | 介绍了近年来关于低维硼碳纳米材料结构和电子性质的研究工作.通过第一原理计算,从理论上预言了稳定的低维硼纳米结构,并系统研究了以稳定硼平面为基础的硼纳米管和硼纳米带的电子性质.对于硼碳复合纳米材料,以BC3,BC5和BC7有序结构的平面为基础,发现对其剪裁、氢化修饰之后,硼碳纳米结构具有丰富的电磁学性质,可能在未来电子学器件中得到广泛的应用.
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| 关 键 词： | 硼 硼碳 纳米材料 第一原理 |
The first-principles study of low dimensional boron and carbon nanostructures |
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| NI Jun & YANG ZaiLin.The first-principles study of low dimensional boron and carbon nanostructures[J].Scientia Sinica Pysica,Mechanica & Astronomica,2011(4):369-376. |
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| Authors: | NI Jun & YANG ZaiLin |
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| Institution: | NI Jun & YANG ZaiLin Department of Physics and Key Laboratory of Atomic and Molecular Nanoscience (Ministry of Education),Tsinghua University,Beijing 100084,China |
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| Abstract: | We have reviewed our recent researches on the boron and carbon nanostructures in this paper. We show that the stable boron sheet, nanotubes, and nanoribbons have a rich variety of electronic properties. For boron carbide nanostructures, such as the ordering BC 3 , BC 5 and BC 7 sheets, we found that the hydrogenation and defects could lead to rich electronic and magnetic properties. The boron and carbon nanostructures may have the potential applications in the nanoscale devices in the future. |
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| Keywords: | boron boron carbide nano materials first principle |
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