Development of New Amine-Functionalized Metal-Organic Framework for Enhanced Triboelectrification Using First-Principle Theory of Nanogenerator

TENGs have gained significant attention due to their ability to convert mechanical energy into electricity. Advancements in materials like metal-organic frameworks (MOFs) and device architecture have led the improvements in performance. We used a first-principle theory nanogenerator to design and investigate the novel without and with amino-functionalized Zn-MOF (NH₂- Zn-MOF) for the triboelectric properties. The amino functionalization possesses unconventional electrostatic functions with the change in the surface potential, work function and capacitance. V-shaped amine-functionalized Zn-MOF TENG device achieved a maximum peak-to-peak voltage of 624 V along with a maximum power density of 244 mW/m². The amine functionalization results in a 2.5-fold increment in output performance than the non-functionalized device. The harvested energy is utilized for capacitor charging and powering low-powered electronics. Furthermore, the amino-functionalized MOF-TENG device proves as a promising smart sports sensor in detection and monitoring.