T. Iizuka-sakano et al., Influence of the Au-S bond in the self-assembled monolayer of the helical peptides on gold, MOLEC CRYST, 349, 2000, pp. 227-230
We numerically investigate molecular arrangement and orientation in the sel
f-assembled peptide monolayer adsorbed on Sold considering dipoles of each
amide group in peptides and a dipole due to the Au-S bond at the chemisorpt
ion site. We investigate a single peptide adsorbed on gold and SAM of two d
imensional crystal. Comparing their results with that of ignoring Au-S dipo
le, we show that molecules can take an orientation standing normal to the s
urface by Au-S dipole.