*Article* **Controlling CNT-Based Nanorotors via Hydroxyl Groups**

**Boyang Zhang 1, Rui Li 1,\* and Qing Peng 2,3,4,\***


**Abstract:** 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.

**Keywords:** transmission system; carbon nanotube (CNT); hydroxyl groups; response speed; energy dissipation
