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 inChinese physics letters Vol. 33; no. 4; pp. 108 - 112
Main Author 夏蔡娟 张博群 杨茂 王春兰 杨爱云
Format Journal Article
LanguageEnglish
Published 01.04.2016
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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ISSN0256-307X
1741-3540
DOI10.1088/0256-307X/33/4/047101

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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.
Bibliography:11-1959/O4
Cai-Juan Xia, Bo-Qun Zhang, Mao Yang Chun-Lan Wang, Ai-Yun Yang School of Science, Xi＇an Polytechnic University, Xi＇an 710048
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