The synthesis of halide perovskite nanocrystals (PNCs) with mesmerizing photophysical properties has allowed for the fast development of efficient optoelectronic and photovoltaic devices, as well as making them ideal photocatalysts for solar-driven chemical reactions. However, the use of traditional oleic acid/oleylamine with low binding energy and the introduction of some phosphine- and sulfur-based ligands generate the emergence of highly defective PNCs with poor stability, fast quenching of their PL features, and increase in the toxicity of the final perovskite product. In this review, we will show the use of prominent “green” and ecofriendly solvents and capping ligands with the capability to enhance the quality of the PNCs by suppressing structural defects. By introducing promising ecofriendly agents such as biogenic species and ligands extracted from natural sources, it is possible to favor the radiative recombination dynamics into the perovskite, being beneficial to enhance the device performance. Novel passivation alternatives or synthetic routes are highlighted in this contribution, giving a deeper understanding of the control of surface chemistry in PNCs through ligand engineering to prolong the stability of the nanocrystals.