The mechanism of selective deposition of luminescent molecules onto self-assembled monolayers using molecular dynamics

- We modeled condensed and expanded monolayers on mica substrate.
- The structural features of different monolayers were studied upon the MD methods.
- Perylene prefers to deposit onto the surface of LC monolayer.
- The density of alkyl chains on the substrate influences the diffusion of perylene.
- Deposition mechanism was explained using umbrella sampling simulations.