Nanomaterials play a decisive role in environmental applications such as water purification, pollutant monitoring, and advanced oxidation-based remediation processes, particularly in semiconductor and metal sulfide-based photocatalysis. Metal sulfides are ideal for photocatalysis because of their unique optical, structural, and electronic characteristics. These properties enable the effective use of solar energy to drive various catalytic reactions with potential uses in environmental remediation with sustainable energy production. Among them, nickel sulfides (NiS) stand out for their narrow band gaps, high stability, and cost-effectiveness. This review thoroughly analyzes recent advancements in employing nickel–sulfide-based nanostructures for water decontamination. It begins by addressing environmental material needs and emphasizing the properties of nickel sulfide. To improve photocatalytic performance, controlled processes that affect the active structure, shape, composition, and size of nickel sulfide photocatalysts are examined, along with their synthesis methods. The heart of the review article is a detailed analysis of the modification of NiS through metal and non-metal doping, heterojunction, and nanocomposite formation for enhanced photocatalytic performance. The discussion also includes metal-modified nanostructures, metal oxides, and carbon-hybridized nanocomposites. This study underscores notable advancements in the degradation efficiency of NiS photocatalysts, rivaling their costly noble-metal counterparts. The analysis concludes with potential future directions for nickel sulfide-based photocatalysts in sustainable environmental remediation.