Atomic-Scale Revelation of Voltage-Modulated Electrochemical Corrosion Mechanism in 4H-SiC Substrate

Electrochemical mechanical polishing is a critical technology for improving the surface quality of silicon carbide (SiC) substrates. However, the fundamental electrochemical corrosion mechanism of the SiC substrate remains incompletely understood. In this study, the electrochemical corrosion behavior of the SiC substrate is explored through comprehensive experiments and molecular dynamics simulations. Key findings demonstrated that the 4H-0° SiC exhibited the highest corrosion rate in a 0.6 mol/L NaCl electrolyte. The corrosion rate increased as the voltage rose within the range of 2 to 20 V. When the voltage was between 20 and 25 V, the system entered the stable passivation region, while when the voltage was 25 to 30 V, partial dissolution of the surface oxide layer occurred. Molecular dynamics simulations further revealed that both amorphization degree and reaction depth on the SiC surface showed a decreasing trend at elevated voltages, suggesting a corresponding reduction in the corrosion rate when the voltage exceeded the optimal range. OH−, O2−, and •OH generated by the electrolysis of water during electrochemical corrosion would rapidly react with the surface of the SiC anode, and subsequently form a SiO2 modified layer. Moreover, these atomistic insights establish a scientific foundation for achieving superior surface integrity in large-diameter SiC substrates through optimized electrochemical mechanical polishing processes.