Zhang Boyang, Li Rui, Peng Qing
School of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, China.
Physics Department, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia.
Nanomaterials (Basel). 2022 Sep 27;12(19):3363. doi: 10.3390/nano12193363.
Nanomotor systems have attracted extensive attention due to their applications in nanorobots and nanodevices. The control of their response is crucial but presents a great challenge. In this work, the rotating and braking processes of a carbon nanotube (CNT)-based rotor system have been studied using molecular dynamics simulation. The speed of response can be tuned by controlling the ratio of hydroxyl groups on the edges. The ratio of hydroxyl groups is positively correlated with the speed of response. The mechanism involved is that the strong hydrogen bonds formed between interfaces increase the interface interaction. Incremental increase in the hydroxyl group concentration causes more hydrogen bonds and thus strengthens the interconnection, resulting in the enhancement of the speed of response. The phonon density of states analysis reveals that the vibration of hydroxyl groups plays the key role in energy dissipation. Our results suggest a novel routine to remotely control the nanomotors by modulating the chemical environment, including tuning the hydroxyl groups concentration and pH chemistry.
纳米马达系统因其在纳米机器人和纳米器件中的应用而受到广泛关注。对其响应的控制至关重要，但也带来了巨大挑战。在这项工作中，使用分子动力学模拟研究了基于碳纳米管（CNT）的转子系统的旋转和制动过程。响应速度可以通过控制边缘上羟基的比例来调节。羟基比例与响应速度呈正相关。其涉及的机制是界面之间形成的强氢键增加了界面相互作用。羟基浓度的逐渐增加会导致更多氢键，从而加强相互连接，导致响应速度提高。声子态密度分析表明，羟基的振动在能量耗散中起关键作用。我们的结果提出了一种通过调节化学环境来远程控制纳米马达的新方法，包括调节羟基浓度和pH化学。
