Effect of Chirality on the Electronic Transport Properties of the Thioxanthene-Based Molecular Switch

Based on the nonequilibrium Green function method and density functional theory calculations, we theoretically investigate the effect of chirality on the electronic transport properties of thioxanthene-based molecular switch. The molecule comprises the switch which can exhibit different chiralities,...

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Bibliographic Details
Published in:Chinese physics letters 2016-04, Vol.33 (4), p.108-112
Main Author: 夏蔡娟 张博群 杨茂 王春兰 杨爱云
Format: Article
Language:English
Subjects:
分子开关
可见光照射
密度泛函理论
手性
格林函数方法
电子输运性质
碳纳米管电极
非平衡态
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Summary:Based on the nonequilibrium Green function method and density functional theory calculations, we theoretically investigate the effect of chirality on the electronic transport properties of thioxanthene-based molecular switch. The molecule comprises the switch which can exhibit different chiralities, that is, cis-form and trans-form by ultraviolet or visible irradiation. The results clearly reveal that the switching behaviors can be realized when the molecule converts between cis-form and trans-form. ~urthermore, the on-off ratio can be modulated by the chirality of the carbon nanotube electrodes. The maximum on-off ratio can reach 109 at 0.4 V for the armchair junction, suggesting potential applications of this type of junctions in future design of functional molecular devices.
ISSN:0256-307X
1741-3540
DOI:10.1088/0256-307X/33/4/047101