Effects of different carbon substrates and fullerene wheels on the mobility of thermally driven nanocars

MA Bakhtiari and M Fathi and SH Ghasemi and MT Ahmadian, SENSORS AND ACTUATORS A-PHYSICAL, 389, 116546 (2025).

DOI: 10.1016/j.sna.2025.116546

This study investigates the performance of fullerene-based nanocars on two surfaces: graphene and carbon nanotubes. The analysis focuses on six nanocars with fullerene wheels-C36, C50, C60, C76, C80, and C90-using molecular dynamics simulations to examine their behavior on both types of carbon substrates. This research has two main objectives: first, to evaluate whether nanocars with different fullerene wheels demonstrate improved performance compared to the C60-based nanocar; and second, to identify the optimal surface configuration for controlling nanocar motion. The results indicate that the nanocar with the C60 wheel performed optimally in fewer than 10 % of the studied conditions, while other nanocars exhibited enhanced performance. Moreover, carbon nanotubes not only regulate nanocar mobility but also enhance their performance and motion. The alignment between the nanocar wheel geometry and the nanotube's curved carbon surface facilitates stronger interactions with a greater number of carbon atoms, leading to improved nanocar mobility. This mechanism increases the diffusion coefficient, a key determinant of motion. By investigating nanocars with various wheel configurations and identifying the most effective ones, these nanocars can be utilized in applications such as nanocarriers and drug delivery systems.

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