A small Janus molecular dimer, as external electric field (F_z) manipulated both a molecular clam switch and a novel electric information storage unit, is found by quantum chemical computations for the first time. The molecular clam switching is intriguing and reversible. A critical F_z value of 95 × 10⁻⁴ au causes a dramatically open change in conformation from Closed form to Open form. And a small reversed electric field of F_z = −10 × 10⁻⁴ au performs a close change from Open form to Closed form. In the switching process, owing to the existence of a great electric dipole moment (μ) contrast between 0 and 22.13 D, the molecular clam switch may serve as an electric information storage unit. Gratifyingly, the reading, writing, and erasing of binary information on the electric information storage unit are easy. And further calculations show that Janus graphene fragment dimer can also serve as a molecular clam switch. Thus, this work proposes a new molecular switch prototype in the invention of artificial molecular machines, and a novel electric information storage unit in the field of molecular electronics.

中文翻译：

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小型Janus二聚体，作为电场操纵的分子蛤开关和电信息存储单元

首次通过量子化学计算发现了一个小的Janus分子二聚体，这是由于外部电场（F _z）同时操纵了分子蛤开关和新型电信息存储单元。分子蛤转换是有趣的并且是可逆的。F _z的临界值为95×10 ^-4 au会导致构象从闭合形式急剧变化为开放形式。F _z = -10×10 ^-4 au的反向电场很小，从开放形式向封闭形式进行了紧密的改变。在开关过程中，由于存在很大的电偶极矩（μ在0和22.13 D之间的对比度下，分子蛤开关可以用作电子信息存储单元。令人满意的是，在电子信息存储单元上的二进制信息的读取，写入和擦除是容易的。进一步的计算表明，Janus石墨烯片段二聚体也可以用作分子蛤开关。因此，这项工作提出了在人工分子机器的发明中的新的分子开关原型，以及在分子电子学领域中的新颖的电信息存储单元。