Supramolecular self-assembly and selective step decoration on the Au(111) surface

Scanning tunneling microscopy of low coverages of 1-nitronaphtalene ( NN) o n reconstructed Au( 111) reveals that the face-centered-cubic ( fcc) recons truction domains of steps are densely and selectively decorated. Molecular dynamics simulations identify this phenomenon as the self-assembly of hydro gen-like bonded supramolecular chains driven by the step electrostatic pote ntial. First principles calculations predict weak adsorption at domain boun daries, and stable adsorption at the step edge of the fcc domains, explaini ng the selective decoration.