Surface Interaction Effect and Mechanism of Methionine Derivatives as Novel Inhibitors for Alkaline Copper CMP: Insights from Molecular Simulation and Experimental Analysis

To prevent excessive corrosion caused by the slurry in the copper (Cu) chemical mechanical polishing (CMP) process, a corrosion inhibitor is normally required. In this study, the methionine (Met) derivative FMOC-L-Methionine (Fmoc-Met-OH) was explored as a corrosion inhibitor for Cu film CMP in weak alkaline conditions (pH = 8.5). A comprehensive evaluation was conducted to confirm the efficiency of Fmoc-Met-OH as a corrosion inhibitor, combining experiments and theoretical calculations. The results showed that Fmoc-Met-OH could effectively inhibit the corrosion of Cu, with a high inhibition efficiency (IE) of 78.26% while maintaining a high removal rate (RR) of 5703 & Aring; min(-1), a low static etch rate (SER) of 676 & Aring; min(-1), and a low surface root mean square deviation (Sq) of 1.41 nm. Simultaneously, the results of X-ray photoelectron spectroscopy (XPS) tests and electrochemical analysis confirm that Fmoc-Met-OH molecules can form a dense and ordered adsorption film on the Cu surface. According to the density functional theory (DFT) calculations and molecular dynamics (MD) simulation, it was verified that Fmoc-Met-OH exhibited strong chemical adsorption on Cu substrates, as evidenced by the high binding energy (EBinding) value, low energy gap (?E), and radial distribution function (RDF) analysis. The findings provided theoretical evidence of the better inhibition effectiveness of Fmoc-Met-OH at a molecular or atomic level.