Theoretical studies of the additives for copper electroplating in PCB by DFT and MD simulations

Abstract

As fundamental elements in contemporary electronic systems, printed circuit boards (PCBs) rely on the copper electroplating process, which enables a uniform, dense coating, excellent electrical conductivity, and the capacity to boost the substrate's wear resistance and corrosion resistance. Copper electroplating additives critically affect metallic deposit quality and device stability. This study uses quantum chemical calculations and molecular dynamic simulations to explore additive screening and adsorption mechanisms. By evaluating orbital energy level difference and adsorption energy, optimal organic compounds for additives are identified, providing theoretical guidance for PCB copper electroplating additive research.