| 分子整流器件整流原理分析 |
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| 引用本文： | 郎远涛,黄宗浩.分子整流器件整流原理分析[J].吉林工学院学报,1993,14(2):67-70. |
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| 作者姓名： | 郎远涛 黄宗浩 |
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| 作者单位： | [1]吉林工学院 [2]东北师范大学 |
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| 摘 要： | 本文以电荷守恒定律为基础，讨论了由四氰基对二次甲基苯醌（TCNQ）和四硫代富瓦稀（TTF）为主体的分子器件的通导机理；采有量子化学自洽场计算方法，计算了它们的中性分子对和正负离子对的能量以及电子结构；并在此基础上讨论了该分子器件的整流原理及筛选 于制作分子整流器件的分子的条件。
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| 关 键 词： | 分子电路 分子器件 量子化学 电离能 亲合势 分子整流器件 整流原理 |
An Analysis On the Rectification Mechanism of Molecular Rectification Device |
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| Lang Yuantao Huang Zonghao.An Analysis On the Rectification Mechanism of Molecular Rectification Device[J].Journal of Jilin Institute of Technology,1993,14(2):67-70. |
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| Authors: | Lang Yuantao Huang Zonghao |
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| Institution: | Lang Yuantao Huang Zonghao
(Jilin Institute of Technology) (Northeast Normal University) |
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| Abstract: | Based on the principle of electric charge conservation, the rectification mechanism of molecular device constructed mainly by 7,7,8,8 ?Tetracyanoquinodimethane (TCNQ) and Tetrathiafulvalene (TTF) was studied. The self ?consistentfield calculation method of quantum chemistry was used to calculate the energies and electron structures of neutral moleculepairs and of positive-negative ionpairs in TCNQ and TTF. Finally, the rectification principle of this molecular device and the conditions for selecting the suitable molecules to construct the molecular device are discussed. |
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| Keywords: | molecular circuit molecular device quantum chemistry ionization energy affinity |
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