Distribution of partial electric field and CO molecules adsorbed on the surface of nanostructured nanoellipsoids

Abstract

The abnormal infrared effect(AIRE) will happen when CO molecules are adsorbed on the nanostructured transition-metal surface, which can be explained by the partial agglomeration of the adsorbate and the increase of interaction energy due to the effect of external electric field. Based on our previous studies，in this paper, the calculation results are given with respect to the nanoellipsoid growing out from the metal substrate. Based on the surface structure model that the metal nanoellipsoids are arranged symmetrically on a metal substrate in the uniform electric field, the partial electric fields near the nanoellipsoid surfaces are calculated by using the classical electromagnetic theory. On the basis of the calculation results, the CO molecules being modeled as equivalent dipoles, and considering the three kinds of interactions between dipoles and partial electric field, dipole and dipole, as well as dipoles and substrate, we give the spatial configuration of CO molecules adsorbed on the nanoellipsoid surfaces by using Monte-Carlo numerical simulation.