Photocatalysis plays a crucial role in tackling environmental challenges by efficiently breaking down organic pollutants in water. This study highlights the significant contribution of 2D materials in advancing photocatalytic technology for sustainable environmental remediation. It explores various aspects of photocatalytic processes, including important performance metrics such as reaction rate, quantum yield, space yield, energy consumption, and figure of merit. The main focus is on 2D materials‐based structures, such as metal oxide supported on graphene and graphene oxides, MXene, or MoS2 (referred as 2D‐MO NPs), as well as more complex nanocomposite configurations (referred as 2D‐MO NCs). Furthermore, the research examines the complex interaction between compositional and operational factors that influence photocatalytic activity, as well as different photocatalytic mechanisms and active species. Finally, it addresses the current limitations of photocatalytic organic pollutants degradation for field applications and discusses the prospects of this technology.