| 有机分子结构对其电输运性质的影响 |
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| 引用本文： | 刘瑞金.有机分子结构对其电输运性质的影响[J].低温物理学报,2009,31(2). |
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| 作者姓名： | 刘瑞金 |
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| 作者单位： | 山东理工大学理学院,山东淄博,255049
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| 摘 要： | 利用从头算理论和弹性散射格林甬数的方法,对有机分子1,4.苯二硫酚(benzene-1,4-dithiol)、4,4二巯基联苯(4,4-biphenyldithiol)、4,4:二巯基联苯醚(bis-(4-mercaptonphenyl)-ether)以及对苯二甲氰(1,4-phenylene diisocy-anide)的电子输运性质进行了理论研究和比较分析.结果显示前三种巯基分子在开启电压位置、电导的平台效应和电流的线性响应等方面有相似性,其中1,4-苯二硫酚分子的电输运性能优越于其他两个分子,但氰基分子对苯二甲氰却有较明显的区别.
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| 关 键 词： | 分子结构 电输运 电导 电流 |
INFLUENCE OF ORGANIC MOLECULAR STRUCTURE ON ITS ELECTRONIC TRANSPORT PROPERTIES |
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| LIU Rui-jin School of Science,Sh,ong University of Technology,Sh,ong Zibo.INFLUENCE OF ORGANIC MOLECULAR STRUCTURE ON ITS ELECTRONIC TRANSPORT PROPERTIES[J].Chinese Journal of Low Temperature Physics,2009,31(2). |
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| Authors: | LIU Rui-jin School of Science Sh ong University of Technology Sh ong Zibo |
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| Institution: | LIU Rui-jin School of Science,Sh,ong University of Technology,Sh,ong Zibo 255049 |
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| Abstract: | By using ab initio theory and elastic scatering Green' s function method,the electronic transport properties of organic moleculars benzene-1,4-dithiol,4,4'-biphenyldithiol,bis-(4-mercaptonphenyl)-ether and 1,4-phenylene diisocyanide are investigated and analysised. The numerical results show that the mercapto molecules are similar in turning-on voltage,platform effect of conductance and linear response of current,and benzene-1,4-dithiol molecule' s electronic transport properties are more advantageous than ... |
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| Keywords: | molecular structure electronic transport conductance current |
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