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有机分子结构对其电输运性质的影响
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).
作者姓名:刘瑞金
作者单位:山东理工大学理学院,山东淄博,255049  
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.

关 键 词:分子结构  电输运  电导  电流

INFLUENCE OF ORGANIC MOLECULAR STRUCTURE ON ITS ELECTRONIC TRANSPORT PROPERTIES
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).
Authors:LIU Rui-jin School of Science  Sh  ong University of Technology  Sh  ong Zibo
Institution:LIU Rui-jin School of Science,Sh,ong University of Technology,Sh,ong Zibo 255049
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 ...
Keywords:molecular structure  electronic transport  conductance  current  
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