William E. Ford

The Importance of the Metal‐Molecule Interface for Charge Transport: A Theoretical and Experimental Study

This contribution discusses the influence of the metal binding group on the charge transport and optical properties of percolated networks of nanoparticles interlinked with bis‐dithiocarbamate or dithiol derivatives. DFT calculations show that the bis‐dithiocarbamate derivatives form valence states that are delocalized on the metal and the molecule. This is a characteristic, which is classically not known from the thiol‐gold interface. Conclusive experimental and theoretical evidence for the excellent electronic behavior of dithiocarbamate groups is provided.