Capacitive deionization (CDI) is a high-performance, low-energy consumption, and environmentally friendly water treatment technology with a broad application prospect in heavy metal removal. Selecting electrode materials with high capacitance and low resistance is essential for improving CDI's desalting efficiency. This article discusses the utilization of sugarcane bagasse (C-N-X) and the production procedures of CDI materials. The unique 3D cross-linked structure of C-N-X provides excellent mass transfer properties and significant advantages in capacitance and conductivity. The results of X-ray photoelectron spectroscopy (XPS) and Fourier Transform Infrared Spectrometer (FTIR) show that bagasse biochar with graphene-like structure and abundant functional groups provides active sites for Cu2+ removal. In this paper, C-N-X is first used as CDI electrode material to remove Cu2+. Electrochemical tests show that the specific capacitance of C-N-X is still stable at about 47 F g ? 1, and the removal capacity of Cu2+ (25 mg L-1) reaches 66.79 mg g-1 within 4 h after 700 cycles. The experimental results and DFT calculations confirm the adsorption selectivity of C -N-700 for Cu2+.