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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+., Funding Agencies|National Natural Science Foundation of China [51778156]; Pearl River S & T Nova Program of Guangzhou [201806010191]; Science and Technology Program of Guangzhou [201707010256]; Talent Cultivation Program of Guangzhou University [YJ2021005]; Guangdong Natural Science Foundation [2022A1515010441]; Guangdong Basic and Applied Basic Research Foundation [2021A1515110899]; Youth Innovative Talents Project of Guangdong Province [2021KQNCX062]; Guangzhou University -Hong Kong University of Science and Technology Joint Research Cooperation Fund [YH202102]; Basic and Applied Basic Research Projects of Guangzhou [202201010001]; Municipal School (College) Joint Funding of Guangzhou [202201020205]