In the current era, energy resources from the environment via piezoelectric materials are not only used for self-powered electronic devices, but also play a significant role in creating a pleasant living environment. Piezoelectric materials have the potential to produce energy from micro to milliwatts of power depending on the ambient conditions. The energy obtained from these materials is used for powering small electronic devices such as sensors, health monitoring devices, and various smart electronic gadgets like watches, personal computers, and cameras. These reviews explain the comprehensive concepts related to piezoelectric (classical and non-classical) materials, energy harvesting from the mechanical vibration of piezoelectric materials, structural modelling, and their optimization. Non-conventional smart materials, such as polyceramics, polymers, or composite piezoelectric materials, stand out due to their slender actuator and sensor profiles, offering superior performance, flexibility, and reliability at competitive costs despite their susceptibility to performance fluctuations caused by temperature variations. Accurate modeling and performance optimization, employing analytical, numerical, and experimental methodologies are imperative. This review also furthers research and development in optimizing piezoelectric energy utilization, suggesting the need for continued experimentation to select optimal materials and structures for various energy applications.