Effect of Amino Acid Inhibitors with Functional Groups in R-Groups on the Chemical Mechanical Polishing Performance and Mechanistic Insights of Copper Films: Combining Experiments and Atomic Level Theoretical Calculations

Abstract

This study explores the use of biocompatible amino acids—arginine (ARG), histidine (HIS), and asparagine (ASN)—as corrosion inhibitors in Cu film slurry for chemical mechanical polishing (CMP). Through interaction analysis, quantum chemical calculations, and molecular dynamics simulations, it is shown that these inhibitors form stable complexes with Cu, protect the surface, and reduce the coefficient of friction, improving CMP performance. The inhibition efficiency follows ARG > HIS > ASN, with ARG’s nitrogen atoms enhancing adsorption energy and forming a denser passivation film. These findings offer insights into developing efficient, eco-friendly Cu slurries suitable for low technology nodes.

Keywords: Chemical mechanical polishing, Amino acid inhibitors, Copper films, Theoretical calculations