Abstract The piezoelectric materials have been extensively utilized in various applications, such as sensors, actuators, and energy harvesters. This study evaluates the performance of six lead-free piezoelectric materials- aluminium nitride (AlN), barium titanate (BaTiO3), lithium niobate (LiNbO3), lithium tantalate (LiTaO3), polyvinylidene fluoride (PVDF), and zinc oxide (ZnO) in MEMS-based piezoelectric vibration energy harvesters (PVEHs) using cantilever configurations. Finite element analysis via COMSOL Multiphysics was employed to assess the deflection, voltage, and power outputs of these materials at their resonance frequencies, both with and without proof masses. The results indicate that BaTiO3 and PVDF cantilevers exhibited the highest voltage outputs, reaching 207.14 mV and 202.07 mV, respectively, with AlN also showing comparable performance at 184.72 mV. ZnO-based cantilevers demonstrated the highest power output of 1.35 nW without proof masses and 190.5 nW with proof masses, indicating its potential for high-power applications. The addition of proof masses generally reduced resonant frequencies but enhanced power outputs, like for ZnO. This comprehensive analysis underscores the critical impact of material selection and structural modifications on the efficiency of PVEHs, with BaTiO3, PVDF, and ZnO emerging as the most promising candidates for optimizing energy harvesting devices. This research lays a foundation for further advancements in piezoelectric MEMS technology, aiming for more efficient energy harvesting solutions.