A mathematical framework for modeling photocatalytic and nanophotocatalytic water-splitting processes to enhance sustainable hydrogen production. The model is developed using ordinary differential equations (ODEs) to describe catalyst activity, surface efficiency, and environmental variability in the system. Stability analyses are carried out to investigate the long-term behavior and sensitivity of the proposed ODE model under different parameter regimes. Furthermore, optimal control strategies are formulated to maximize hydrogen yield while reducing catalyst degradation and minimizing energy consumption. Numerical simulations demonstrate the effectiveness of the ODE-based approach in predicting system dynamics and optimizing performance. This investigation offers helpful knowledge about catalytic water-splitting processes and serves as a foundation for designing improved clean energy solutions.