Materials used in bipolar plates are essential for addressing the challenges associated with the large-scale commercialization of Proton Exchange Membrane Fuel Cells (PEMFCs). Therefore, it is necessary to develop effective performance evaluation approaches to evaluate the performance of materials. This work has presented a high-fidelity mathematical model that includes electrochemical, fluid flow, energy, species transport, water formation, and transport aspects to simulate the conditions in a PEMFC system and to theoretically assess the performances of commercial bipolar plate materials. Accordingly, the effects of metallic (aluminum) and carbon-based (graphite and graphite composite) bipolar plate materials on the current collection performance, thermal management, water management, and overall efficiency of PEMFCs are analyzed. The findings suggest that the current density, power density, and operating voltage of each PEMFC are greatly affected by the bipolar plate material used. When compared to graphite bipolar plates, the aluminum and graphite composite bipolar plates have exhibited 16.5 % and 7.5 % higher power densities, respectively. The change in operating conditions and thermal environments caused by a change of bipolar plate materials gives rise to distinct water transport phenomena according to their respective capabilities in the balancing of liquid water movements across the membrane, which in turn affects the species distribution pattern. Specifically, the high imbalance between the electro-osmotic drag and back diffusion in the case of aluminum bipolar plate leads to a severe membrane dry-out on the anode side, limiting the hydrogen concentration in the region.