Single molecules on gold surfaces and molecular conduction

Full text: The conduction of electric current through single molecules is the subject of considerable research interest. Experimental studies have concentrated on scanned probe measurements of current voltage characteristics, with the results for some molecules demonstrating, for example, diodic behaviour or negative differential resistance. Agreement is yet to be reached between these measured currents and calculated values, and a unified picture of the transport process is still pending. Here we present our simulations of single molecules adsorbed on gold surfaces to understand how factors such as absorption site and applied bias can affect the calculated tunnelling current. Copyright (2005) Australian Institute of Physics