Locomotion of the C60-based nanomachines on graphene surfaces

Abstract

We provide a comprehensive computational characterization of surface motion of two types of nanomachines with four C60 “wheels”: a flexible chassis Nanocar and a rigid chassis Nanotruck. We study the nanocars’ lateral and rotational diffusion as well as the wheels’ rolling motion on two kinds of graphene substrates—flexible single-layer graphene which may form surface ripples and an ideally flat graphene monolayer. We find that the graphene surface ripples facilitate the translational diffusion of Nanocar and Nanotruck, but have little effect on their surface rotation or the rolling of their wheels. The latter two types of motion are strongly affected by the structure of the nanomachines instead. Surface diffusion of both nanomachines occurs preferentially via a sliding mechanism whereas the rolling of the “wheels” contributes little. The axial rotation of all “wheels” is uncorrelated.

Collective movement and thermal stability of fullerene clusters on the graphene layer

“…Using the same potentials several investigations have been performed on the surface motion of large organic molecules. 3,10,15,64 In these studies, different parameters such as the threshold temperature of the activation of long-range motions and the diffusion coefficients of the molecules are in good agreement with the experimental results.…”

“…1 Various investigations have been conducted on the surface motion of individual molecules during the recent years. [2][3][4][5][6][7][8][9] These studies include the mobility of small molecules or large organic ones such as artificial nano-machines on different surfaces. [10][11][12][13][14][15][16] Such molecular machines (named nanocars) are capable of carrying payloads on the surface.…”

Investigation of the motion of fullerene-wheeled nano-machines on thermally activated curved gold substrates

“…Their study helps us to better understand the thermally driven fullerene-based nano-machines with high controllability and maneuverability. Similarly, Mofidi et al studied the motion of the C 60 -wheeled nano-machines on the graphene substrates at different conditions and temperatures 25 . They considered the diffusion coefficient of translational motion without taking into account the rotational motion, wheels, and chassis impacts on the mobility of nanocars.…”

Cubic Nanogrids for Counterbalance Contradiction among Reorganization Energy, Strain Energy, and Wide Bandgap

“…Csp 3 -linked gridization 16−18 of active π-segments has become a promising solution to challenge the dilemma among them. Up to date, gridization of π-backbones has been developed in terms of both concept and synthetic methodology.…”

“…Molecular nanosystems are fascinating and have become more and more important for molecular reactors, molecular nanofactories, nanomachines, supramolecular hosts, and porous captors of gas molecules, serving as intramolecular fluorescence (Förster) resonance energy-transfer (FRET) systems , and twist electronic quantum computing systems , as well as other types of molecular circuit integration . In general, molecular contradiction can be unified by large scales such as the nanoscale that can assemble two or more factors/molecular segments/molecular functionalities into one molecular nanosystem to create the synergy and cooperation effects by constricting some useless motion modes.…”