Proportion effect in diblock co-oligomer molecular diodes

被引：4
|
作者：
Hu, G. C. [1 ,2 ]
Zhang, G. P. [1 ]
Li, Y. [1 ]
Ren, J. F. [1 ]
Wang, C. K. [1 ]
机构：
[1] Shandong Normal Univ, Coll Phys & Elect, Jinan 250014, Peoples R China
[2] Univ Missouri, Dept Phys, Columbia, MO 65211 USA
来源：
CHEMICAL PHYSICS LETTERS | 2014年 / 614卷
基金：
中国国家自然科学基金;
关键词：
INDUCED INVERSION; RECTIFICATION; JUNCTIONS; PROTONATION; TRANSPORT;
D O I：
10.1016/j.cplett.2014.09.043
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Based on ab-initio theory and nonequilibrium Green's function method, the effect of proportion on the rectification in pyrimidinyl-phenyl diblock co-oligomer diodes is investigated in two regimes. For a short co-oligomer diode, it is found that the 1:1 proportion of the two moieties favors the largest rectification ratio. For a long co-oligomer diode, an interesting proportion-dependent variation of the rectifying direction is observed. Furthermore, the optimal proportion for the largest rectification ratio is not 1:1 any longer. A deep understanding can be achieved by analyzing the bias-dependent transmission spectra combined with the evolution of the molecular orbitals. (C) 2014 Elsevier B.V. All rights reserved.
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页码：207 / 213
页数：7
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