From CAT-like to POD-like Enzymatic Activity of Cu-BHT Tuning by Substrate Engineering

Key Points

• This research aims to explore the mechanisms influencing the enzymatic activity of Cu-BHT nanozymes through substrate engineering.
• Employed density functional theory (DFT) calculations to analyze different substrates
• Investigated changes in enzyme-like activity of Cu-BHT due to substrate modifications
• Cu-BHT demonstrated a significant shift in enzymatic activity when substrates were altered
• Findings indicate optimized substrate configurations greatly enhance catalytic performance