Abstract Understanding the dynamic behaviors and electromechanical conversion characteristics of triboelectric nanogenerators (TENGs) is essential for their precise design and optimization, yet these processes remain insufficiently elucidated. This study systematically investigates a bouncing ball TENG to clarify the coupled mechanical‐electrical mechanisms through dynamic simulations and experimental validation. The dynamic behaviors of the bouncing ball under varying vibration conditions are analyzed, revealing four typical motion states directly associated with energy generation. Key parameters affecting these behaviors are identified, providing practical guidance for structural design and performance enhancement. Furthermore, a dual‐simulation coupling method integrating dynamic modeling and finite element analysis is proposed, enabling accurate prediction of electric potentials and output waveforms without extensive experimental repetition. The results establish a unified framework for understanding and predicting TENG performance, contributing to the standardization and practical deployment of triboelectric energy harvesting technologies.