The surface, interfaces and grain boundaries of a halide perovskite film carry critical tasks in achieving as well as maintaining high solar cell performance due to the inherently defective nature across their regime. Passivating materials and felicitous process engineering approaches have significant ramifications in the resultant perovskite film, and the solar cell's overall macroscale properties as they dictate structural and optoelectronic properties. Herein, we exploit a vast number of defect engineering approaches aiming to increase the performance and the stability of perovskite solar cells, especially against humidity, continuous illumination, and heat. This review begins with the perovskite materials' fundamental structural properties followed by the advances made to induce higher stabilization in perovskite solar cells by fine-tuning materials chemistry design parameters. We continue by summarizing defect passivation strategies based on molecular entities' application, including suitable functional groups that enable sufficient surface, bulk and grain boundary passivation, morphology, and crystallinity control. We also present methods to control the density of defects through the variation of processing conditions, solvent annealing and solvent engineering approaches, gas-assisted deposition methods, and use of self-assembled monolayers, as well as colloidal engineering and coordination surface chemistry. Finally, we give our perspective on how a combined understanding of materials chemistry aspects and passivation mechanisms will further develop high-efficiency and stability perovskite solar cells.