This chapter delves deep into the latest advancements in synthesizing and modifying molybdenum disulfide (MoS2) nanoparticles with tailored morphologies, ranging from zero-dimensional to three-dimensional, which exhibit distinct physicochemical properties and multifunctionality. We discuss key chemical synthesis routes—including hydrothermal and solvothermal methods, thermal decomposition of precursors, and chemical vapor deposition—are discussed, with a focus on their benefits for controlling morphology and phase composition. Physical methods like mechanical milling and various exfoliation techniques, such as ultrasonication-assisted liquid exfoliation and electrochemical exfoliation, are also explored for their effectiveness in producing few-layer or monolayer MoS2 nanoparticles. Furthermore, the review delves into crucial surface modification strategies, including metal and non-metallic doping, as well as defect engineering (specifically sulfur vacancies and edge functionalization) and phase transition control (2H to 1T conversion). These modifications are pivotal for enhancing electronic conductivity, catalytic efficiency, and overall functional performance, enabling MoS2-based innovations in nanoelectronics, electrocatalysis, energy storage, and biomedicine. This work aims to serve as a strategic guide for the rational design of MoS2 nanomaterials with tailored morphologies for next-generation advanced functional devices.