| 分子链长对分子结电输运性质的影响 |
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| 引用本文： | 李英德.分子链长对分子结电输运性质的影响[J].潍坊学院学报,2011,11(6):27-30. |
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| 作者姓名： | 李英德 |
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| 作者单位： | 潍坊学院,山东潍坊,261061 |
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| 基金项目： | 山东省自然科学基金项目 |
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| 摘 要： | 利用杂化密度泛函理论，研究了烷烃硫醇分子与金电极形成分子结的电子结构，利用弹性散射格林函数方法研究了烷烃硫醇分子的电输运性质，并同实验结果进行了比较。研究结果表明，在低的外加偏压下，烷烃硫醇分子电流值随着分子链长度的增加而指数减小。
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| 关 键 词： | 分子电子学 烷烃硫醇分子 电输运性质 |
The Effect of Molecular Length on Electronic Transport Properties of Molecular Junctions |
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| LI Ying-De.The Effect of Molecular Length on Electronic Transport Properties of Molecular Junctions[J].Journal of Weifang University,2011,11(6):27-30. |
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| Authors: | LI Ying-De |
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| Institution: | LI Ying-De(Weifang University,Weifang 261061,China) |
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| Abstract: | The hybrid density functional theory is used to study the electronic structure of the junction of alkanemonothiol molecules. The electronic transport properties of the molecular junctions are investigated using the elastic--scattering Green＇ s function method. The numerical results are compared with experimental measurements. The results show that, in the lower voltage regime, the molecular currents decreased exponentially with the molecular length. |
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| Keywords: | molecular electronics alkanemonothiol molecule electronic transport property |
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