Cracking the code for single-molecule junctions

Measuring the conductance of single-molecule junctions, which feature in a range of photovoltaic and energy-harvesting devices, is essential to gain better insights into the energy and charge-transfer processes of the molecule, in order to optimize the devices themselves. But accurately calculating the conductance is no mean feat. Now, by applying a correction to a standard modelling method used to make measurements in such systems, an international group of researchers has demonstrated qualitatively and quantitatively correct solutions for a compound known as “porphyrin” for the first time, thereby enabling predictive modelling of complex molecular junctions.