It has been demonstrated that bismuth oxyhalides [BiOX (X = Cl, Br, and I)] nano‐crystals can efficiently behave as photocatalysts both under visible light and UV light. Different types of dyes, phenols, etc. can be degraded by bismuth oxyhalides materials efficiently, for the purification of wastewater. The raw materials used in the synthesis of bismuth oxyiodide (BiOI) are pure Bi2O3, halide salt, and capping agent (poly‐vinyl‐pyrrolidone). A variety of characterization techniques are used to characterize the as‐synthesized samples, including X‐ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), UV–Vis diffuse reflection spectroscopy (UV–Vis DRS), photoluminescence (PL), Mott–Schottky, field emission scanning electron microscopy (FESEM), energy dispersive X‐ray spectroscopy (EDX), and high resolution transmission electron microscopic (HRTEM), etc. A potential application in environmental remediation is achieved through 95.25% degradation of organic Rhodamine B (RhB) dye within 100 min using the synthesized materials under visible light irradiation.