在Cu（111）表面上旋转单分子齿轮的纳米石墨烯盘
A Nanographene Disk Rotating a single Molecule Gear on a Cu(111) Surface
摘要：
润滑剂广泛应用于宏观机械系统中以减少摩擦和磨损。然而，在微观尺度上，润滑剂在多大程度上是有益的尚不清楚。因此，在这项研究中，我们考虑两个金刚石固态齿轮在纳米级浸在不同的润滑剂分子，并进行经典的MD模拟，以调查运动的旋转传输。我们发现，润滑剂可以帮助同步齿轮之间的旋转传输的分子种类和质量中心的距离无关。此外，驱动齿轮的角速度的影响进行了研究，并显示出与齿轮之间的键合形成过程。
英文摘要：
Lubricants are widely used in macroscopic mechanical systems to reduce friction and wear. However, on the microscopic scale, it is not clear to what extent lubricants are beneficial. Therefore, in this study, we consider two diamond solid-state gears at the nanoscale immersed in different lubricant molecules and perform classical MD simulations to investigate the rotational transmission of motion. We find that lubricants can help to synchronize the rotational transmission between gears regardless of the molecular species and the center-of-mass distance. Moreover, the influence of the angular velocity of the driving gear is investigated and shown to be related to the bond formation process between gears.
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