This study evaluated the performance of a novel MXene-reduced graphene oxide (MXene-rGO) composite material as electrodes in a capacitive deionization (CDI) system for the removal of heavy metal contaminants from simulated wastewater. Industrialization and urbanization have exacerbated water pollution, particularly from heavy metals like lead, cadmium, and chromium, which pose significant health risks due to their toxicity and persistence in the environment. The research demonstrates that the MXene-rGO composite effectively removes heavy metals, achieving specific removal capacities of 50 mg/g for chromium, 46.8 mg/g for lead, and 41 mg/g for cadmium. The removal efficiency improves over time, with chromium reaching 100% removal within 40 min, attributed to its high valency and favorable electrostatic interactions with the adsorbent. In contrast, cadmium exhibited lower removal efficiency due to its lower charge and larger hydraulic radius. The study emphasizes the advantages of CDI technology, including reduced chemical usage and waste generation, while showcasing the potential of advanced nanomaterials to enhance heavy metal removal processes. The findings contribute to the development of effective and eco-friendly wastewater treatment technologies, addressing the pressing issue of heavy metal contamination in water bodies. Overall, the research highlights the importance of novel materials in advancing sustainable environmental remediation strategies.