Corn stover could be pyrolysed to prepare biochar for removing pollutants in water and realizing the resource utilization of biomass. The aims of the present study were to investigate the optimal preparation and adsorption conditions of biochar and to reveal the adsorption characteristics and mechanisms of Cd²⁺ in water by biochar. For this purpose, with Cd²⁺ as the target pollutant, the pyrolysis conditions involved in the pyrolysis temperature, retention time, and heating rate were evaluated and optimized. Additionally, the characteristics, mechanisms and optimal adsorption conditions of Cd²⁺ by biochar were determined. A series of characterization techniques was employed, including scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and specific surface area analysis (S_BET). The optimum pyrolysis parameters were a pyrolysis temperature of 700 °C, a retention time of 2.5 h, and a heating rate of 5 °C/min. Acid/base modification did not improve the adsorption capacity of biochar. The Langmuir and the Elovich model were the most suitable isotherm and kinetic models for equilibrium data, respectively. The maximum adsorption capacity fitted by Langmuir model was 13.4 mg/g. Furthermore, mineral precipitation and π electron interactions were shown to be the main adsorption mechanisms of Cd²⁺. The optimum adsorption conditions for Cd²⁺ in water were a CaCl₂ electrolyte solution of 0.01 mol/L, a pH level of 6.7, and a biochar dosage of 0.4 g. Our results indicated that corn stover biochar was an appropriate approach for improving the status of water with Cd²⁺ contamination in the short term and for promoting a new perspective for the rational utilization of corn stover and the low-cost pollution control of heavy metals in water.