1,3-diphenyltriazene as a possible optical molecular switch: A first-principles study

Zhao P; Zhang Z; Wang PJ; Liu DS

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1,3-diphenyltriazene as a possible optical molecular switch: A first-principles study

机译：1,3-二苯基三氮烯可能是光学分子开关：第一性原理研究

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By applying nonequilibrium Green's function formalism combined with first-principles density functional theory, we investigate the electronic transport properties of a 1,3-diphenyltriazene-based optical molecular switch. The molecule that comprises the switch can convert between the cis and the trans forms upon photoexcitation. The transmission spectra of two forms are remarkably distinctive. Theoretical results show that the current through the trans form is significantly larger than that through the cis form, which suggests that this system has attractive potential application in future molecular switch technology.

机译：通过应用非平衡格林函数形式主义与第一原理密度泛函理论相结合，我们研究了基于1,3-二苯基三氮烯的光学分子开关的电子输运性质。包含开关的分子可以在光激发下在顺式和反式之间转换。两种形式的透射光谱非常不同。理论结果表明，通过反式形式的电流明显大于通过顺式形式的电流，这表明该系统在未来的分子开关技术中具有诱人的应用潜力。

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《Physica, B. Condensed Matter》 |2009年第20期|共4页
作者
Zhao P; Zhang Z; Wang PJ; Liu DS;
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正文语种 eng
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关键词
Molecular switch; Diphenyltriazene; Nonequilibrium Green's function; Electronic transport;

机译：分子开关;二苯基三氮烯;非平衡格林函数;电子输运;

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1. 1,3-diphenyltriazene as a possible optical molecular switch: A first-principles study [J] . Zhao P, Zhang Z, Wang PJ, Physica, B. Condensed Matter . 2009,第20期

机译：1,3-二苯基三氮烯可能是光学分子开关：第一性原理研究
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1,3-diphenyltriazene as a possible optical molecular switch: A first-principles study

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