Self-assembly of melem on Au(111) and Ag(111): the origin of two different hydrogen bonding configurations

Abstract

We studied the self-assembly of melem on the Au(111) and Ag(111) surfaces. By scanning tunneling microscopy imaging, we observed two different STM appearances of the melem molecule within the self-assembled nanostructure on Au(111), which resulted from the different intermolecular bonding configurations. Moreover, further DFT details including the intermolecular charge density difference and bonding energy were also obtained to compare the different natures of the intermolecular bonding configurations.