We investigate the diffusion of molecules on solid surfaces and derive a theoretical formula
for the diffusion coefficient in the weak friction limit. The formula clearly shows how the
potential, friction, and temperature contribute to the diffusion coefficient. Molecular dynamics
(MD) simulations of the diffusion of argon molecules on carbon nanotube surfaces are also
performed and the theoretical diffusion coefficient formula is shown in good agreement with
the MD simulations. Furthermore, by combining the theoretical results in the weak and …