The reconstruction of the Pt(111) surface was studied theoretically, using a 2D generalization of the Frenkel-Kontorova model. The parameters in the model were obtained by performing ab initio density functional theory calculations. The Pt(111) surface did not reconstruct under normal conditions but experiments showed that there were two ways to induce the reconstruction: by increasing the temperature, or by depositing adatoms onto the surface. The basic motif of this reconstruction was so-called double stripes with an increased surface density and alternating hcp and fcc domains, arranged to form a honeycomb pattern with a very large repeat distance of 100 to 300Å. The double-stripe reconstruction of the Pt(111) surface was studied. In agreement with experiment, It was found that it was favourable for the surface to reconstruct in the presence of adatoms, but not otherwise.

Double Stripe Reconstruction of the Pt(111) Surface. R.Pushpa, S.Narasimhan: Bulletin of Materials Science, 2003, 26[1], 91-6