Investigation of inhibition phenomenon on Cu (0 0 1) surface by computer simulation

Abstract

Computer simulation has been employed in this paper to study the different inhibition phenomenon of two organic acids on Cu (0 0 1) surface. The computed results are in good agreement with the experimental values, which indicates that the results obtained by us are acceptable. The chemical interaction between mental surface and polar groups of glutamic acid is stronger than that for aspartic acid, resulting in better inhibition performance of the former one. Meanwhile, deviation of nonpolar groups from copper surface leads to the formation of dense inhibitor monolayer.

Keywords:

• Inhibition phenomenon
• Organic acid
• Computer simulation
• Structural difference