Both carbon nanotubes and graphene have been heralded as ideal circuit elements for nanoelectronics. There are, however, some basic technical challenges that have to be overcome before these materials can be used to build large-scale circuits. These include making good electrical contact between the carbon elements and a metal or semiconductor surface, and ensuring that they remain fixed.

Knowing that certain molecular linkers can help to mechanically and electrically anchor carbon nanotubes to a metal surface, William Goddard III at the California Institute of Technology in the US and colleagues at Nanyang Technological University in Singapore have performed calculations to help understand which ones are best suited for the job1. The starting point for the calculations is a slab of platinum metal, and a sheet of carbon, which is anchored to the platinum by six possible molecular linkers derived from functional groups comprising various combinations of C, N, O and S atoms. Initially, the geometric structure of the metal–anchor–carbon sheet that has the lowest energy is determined and then the resistance of that configuration is calculated. Linkers derived from amide and carboxylic acid groups are predicted to serve as the best electrical and mechanical anchors.

The results are expected to influence both nanoelectronics and the fuel-cell industry, where the molecular linkers could prevent degradation of platinum nanoparticles that rest on carbon supports.