Electrical conductivity of dithiophene-based diblock molecular junctions

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• 作者：Ahmed M. El-Nahasp>ap>p> ; p>p>amelnahas@hotmail.comp> ; Ahmed Gameap>ap> ; Morad M. El-Hendawyp>bp> ; Kazunari Yoshizawap>cp>p> ; p>p>dp>
• 关键词：Diblock ; Dithiophene ; Electron transport ; Current rectification ; Negative differential resistance
• 刊名：Computational and Theoretical Chemistry
• 出版年：2017
• 出版时间：1 January 2017
• 年：2017
• 卷：1099
• 期：Complete
• 页码：64-74
• 全文大小：6683 K
• 卷排序：1099

文摘

Electron transport through a diblock molecule containing dithiophene moiety has been studied. Non-equilibrium Green’s function combined with density functional theory was used for I-V curve calculations. The results obtained show a modest current rectification of 1.7–3.4. A little negative differential resistance behavior was reported for some molecular junctions.