This study investigates the optimal configuration of a Metal Hydride-based Solar Thermal Collector (MH-STC) by developing a transient 3D mathematical model to simulate three distinct configurations: C1, C2, and C3. These configurations differ in the placement of water pipes within the metal hydride bed C1 features pipes in the top region, C2 in the core zone, and C3 at the bottom. The performance of these configurations was rigorously compared based on hydrogen charge state, outlet water temperature, useful energy output, and thermal efficiency across varying water flow rates. Results reveal that configuration C1 achieves superior thermal performance during daytime operation, producing outlet temperatures up to 10 °C higher than the other configurations. Conversely, configuration C3 excels at nighttime heating, delivering water temperatures approximately 11.5 °C higher than C1. Furthermore, the analysis indicates that hydrogen desorption pressure significantly impacts outlet water temperature; for instance, increasing the pressure from 2.41 bar to 6 bar enhances the average outlet temperature of the C3 design by about 20 °C during the day and reduces it by approximately 15 °C at night. These findings highlight the critical need for optimizing solar collector designs to effectively meet the thermal demands of both daytime and nighttime applications.