Machine learning-driven simultaneous quantification of Cd(II) and Cu(II) on Co₂P/CoP heterostructure: enhanced...

Simultaneous quantification of multiple heavy metal ions remains a significant challenge in electrochemical methods, as complex high-throughput data from signal interference cannot be accurately analyzed through individual expertise and calibration curves. In this study, machine learning techniques were introduced to co-detect Cd(II) and Cu(II), with their electrochemical interference mechanisms explored on highly active Co₂P/CoP heterostructures. The random forest (RF) model initially identified key feature variables in response currents, which were subsequently input into the convolutional neural network (CNN) to uncover the relationship between electrochemical signals and ion concentrations, demonstrating excellent reliability with R² values of 0.996 for both Cd(II) and Cu(II). The root mean square error (RMSE) values for Cd(II) and Cu(II) were 0.0177 and 0.0206 μM, respectively, indicating high predictive accuracy. The experiments and theory calculations revealed that Cu(II) preferentially bonded with P sites over Cd(II). Enhanced electron transfer from Co to P atoms and weakened Cu-P bonds facilitated Cu(II) reduction and desorption from Co₂P/CoP, thereby boosting electrochemical signals, while Cd(II) signals were inhibited due to active site loss. Herein, the integration of machine learning provides robust support for simultaneous detection of multiple analytes, accelerating the practical application of electrochemical methods in environmental monitoring.