Preparation, structure, and a coarse-grained molecular dynamics model for dodecanethiol-stabilized gold nanoparticles

► Dodecanethiol-coated colloidal gold nanoparticles (AuNP) were prepared. ► Average diameter of AuNPs was estimated to be 3.75 ± 0.06 nm. ► A new coarse-grained molecular dynamics model of AuNP was developed. ► The MD model was applied for studying self-assembly of AuNPs on a graphite surface.