Effects of different wheels on the mobility of thermally driven fullerenes-based nanotrucks

The current study presents the first investigation in which the performance of different-size fullerene-based nanotrucks on different gold substrates was evaluated. For this aim, the motion of nanotrucks with C36, C50, C60, C76, C80, and C90 wheels on the thermally induced flat, upward, and downward step substrates was examined through the classical molecular dynamics method. One of the main concepts of this study was to explore the potential for improved performance of nanotrucks equipped with wheels other than C60 fullerene, offering an alternative to C60-based nanotrucks. The results indicated that applying the C60, recommended as the most appropriate wheel, is reasonable just in 17% of conditions. The nanotrucks presented in the current study indicated a sufficient value of diffusion coefficients for long-range movement, especially when they moved on the downward-step substrate. C36-wheeled and C50-wheeled nanotrucks demonstrated the highest traveled distance on the flat and downward-step substrates. Overall, it is conceivable that nanotrucks equipped with differently sized fullerene wheels hold significant potential for applications in nano-scale drug delivery. [Display omitted] •Performance of fullerene-based nanotrucks on different gold substrates was evaluated.•Motion of nanotrucks with C36, C50, C60, C76, C80, and C90 wheels on thermally induced substrates was examined.•Classical molecular dynamics method was used for studying nanotruck motion on flat, upward, and downward step substrates.•Possibility of a better performance of nanotrucks equipped with different wheels was examined.