Theory, Simulation and Nanotechnological Applications of Adsorption on a Surface with Defects

Abstract

Theory of adsorption on a surface with nanolocal defects is proposed. Two efficacy parameters of surface modification for nanotechnological purposes are introduced, where the modification is a creation of nanolocal artificial defects. The first parameter corresponds to applications where it is necessary to increase the concentration of certain particles on the modified surface. And the second one corresponds to the pattern transfer with the help of particle self-organization on the modified surface. The analytical expressions for both parameters are derived with the help of the thermodynamic and the kinetic approaches for two cases: jump diffusion and free motion of adsorbed particles over the surface. The possibility of selective adsorption of molecules is shown with the help of simulation of the adsorption of acetylene and benzene molecules in the pits on the graphite surface. The process of particle adsorption from the surface into the pit is theoretically studied by molecular dynamic technique. Some possible nanotechnological applications of adsorption on the surface with artificial defects are considered: fabrication of sensors for trace molecule detection, separation of isomers, and pattern transfer.