To address water scarcity globally, recently atmospheric water harvesting (AWH) has emerged as an intriguing and sustainable solution. This comprehensive review critically investigates how diversity in MOFs and their composite materials shapes the effectiveness and practicality of AWH technologies. These materials range from pristine MOFs to functionalized MOFs-based composites to attain the sophisticated hydrophilic behavior to perform as water harvesters. The multifaceted effects of MOFs and their composite materials on the kinetics of sorption and condensation, the feasibility of water uptake and release, the overall performance of the materials, the theoretical understanding of water uptake, and various instrumentation techniques have been demonstrated in this comprehensive review. It contributes to the ongoing discourse on sustainable water sourcing by emphasizing the pivotal role of materials diversity in shaping the future of AWH technologies.