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Electronic transport properties of capped-carbon-nanotube-based molecular junctions with multiple N and B dopants
  • ISSN号：0023-074X
  • 期刊名称：《科学通报》
  • 时间：0
  • 分类：O561.3[理学—原子与分子物理;理学—物理] TB383[一般工业技术—材料科学与工程]
  • 作者机构：[1]School of Physics and Technology, University of Jinan, Jinan 250022, China, [2]State Key Laboratory of Crystal Materials, School of Physics, Shandong University, Jinan 250100, China
  • 相关基金：This work was supported by the National Natural Science Foundation of China （11104115, 11074146）, the Natural Science Foundation of Shandang Province of China （ZR2009AL004） and the Doctoral Foundation of University of Jinan （XBSIO04）.
作者： ZHAO Peng[1], LIU DeSheng[2]
关键词： 电子输运性质, 碳纳米管, B掺杂, 路口, 分子, 非平衡格林函数, 密度泛函理论, 负微分电阻, carbon nanotube, rectifying, negative differential resistance, non-equilibrium Green function, density functional theory
中文摘要：

由使用非平衡，草地与密度在联合工作功能的理论，我们调查了 capped-carbon-nanotube-based 的电子运输性质有多重 N 和 B 掺杂物的分子的连接。结果证明电子运输性质强烈依赖于 N 和 B 掺杂物的数字和位置。最好的修正行为与一 N 和 N B 掺杂物在情况中被观察，并且它与增加的掺杂物强烈被败坏。修正方向甚至与做位置的变化被颠倒。而且，在很低的偏爱的明显的否定微分抵抗行为在一些做的案例中被观察。

英文摘要：

By applying non-equilibrium Green＇s function in combination with density functional theory, we investigated the electronic transport properties of capped-carbon-nanotube-based molecular junctions with multiple N and B dopants. The results show that the elec- tronic transport properties are strongly dependent on the numbers and positions of N and B dopants. Best rectifying behavior is observed in the case with one N and one B dopants, and it is deteriorated strongly with the increasing dopants. The rectifying direction is even reversed with the change of doping positions. Moreover, obvious negative differential resistance behavior at very low bias is observed in some doping cases.

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期刊信息
  • 《科学通报》
  • 北大核心期刊（2011版）
  • 主管单位:中国科学院
  • 主办单位:中国科学院
  • 主编：周光召
  • 地址：北京东黄城根北街16号
  • 邮编：100717
  • 邮箱：csb@scichina.org
  • 电话：010-64036120 64012686
  • 国际标准刊号：ISSN：0023-074X
  • 国内统一刊号：ISSN：11-1784/N
  • 邮发代号:80-213
  • 获奖情况:
  • 首届国家期刊奖,中国期刊方阵“双高”期刊,第三届中国出版政府奖
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  • 被引量:81792