Water cleaning solutions that are efficient, cost-effective, and non-invasive are urgently needed due to the increasing contamination of water bodies caused by industrial and agricultural activities. Photocatalysis is one of these methods that has recently gained attention as a potential strategy for degrading organic contaminants in water. This method leverages semiconductor nanocrystals that, upon light irradiation, generate electron–hole pairs, triggering chemical reactions that lead to the breakdown of pollutants. Zirconium oxide (ZrO2), a semiconductor with a wide band gap, has gotten noteworthy consideration as a potential photocatalyst for environmental remediation due to its thermal stability, mechanical strength, and phase stability under various conditions. However, its limited absorption of visible light and high electron recombination rate hinders its photocatalytic performance. Recent advancements in synthesis methods, such as hydrothermal techniques, have improved photocatalytic efficiency of ZrO2. Strategies such as doping with transition metals, the creation of oxygen vacancies, and hybridizing ZrO2 with other materials have shown promise in narrowing the band gap, enhancing light absorption, and easing electron–hole recombination. This chapter reviews the various methods of synthesizing ZrO2-based photocatalysts, their structural characteristics, and their applications in removing organic contaminants from water. Special attention is given to how modifications, including the introduction of dopants and the development of composite materials, enhance the photocatalytic activity of ZrO2, making it a viable candidate for large-scale environmental remediation. The potential for further improvements in the performance of ZrO2-based photocatalysts is discussed alongside their practical implications for water treatment technologies.