Spontaneous formation of metallic nanostructures on highly oriented pyrolytic graphite (HOPG): an ab initio and experimental study

We have investigated the decoration of step-edges of HOPG by Ag, Au and Pt using experimental and theoretical approaches. Metallic nanowires can be formed on bare or functionalized step-edges. Energy dispersion analysis indicates the presence of oxygenated groups. The experiments showed that nanowires can be obtained with the three metals along the step-edges, but the shapes and morphologies are very different. We have found that the interaction between the metal wires and the carbon follows the sequence: Pt > Au > Ag. The electronic redistribution between the atoms participating in the bond between the metallic nanowire and the step-edges shows a complicated pattern. The density of electronic states projected on the different atoms indicates that there are different orbitals participating in the bonds.