The lack of theoretical understanding of triboelectrification has hindered the development of energy harvesting technologies like triboelectric nanogenerators. Focusing on polytetrafluoroethylene, a material with a strong triboelectric output, a model predictive of its triboelectric behavior, driving the development of improved nanogenerators are formulated. With a combined computational-experimental approach it is shown that defluorination enhances polytetrafluoroethylene nanoscale triboelectric charging. Then a model, explaining the macroscale triboelectric output as determined by the competition of two mechanisms is developed. Defluorination enhances charging while also reducing the interface gap, favoring the backflow of electrons, and possibly reducing charging. However, numerical analysis shows that backflow is negligible, aligning with the prediction of increased triboelectric output. By building triboelectric nanogenerators with defluorinated polytetrafluoroethylene samples, achieved by X-ray irradiation, a one-order-of-magnitude output increase is demonstrated. The predictive models, supported by experiments, lead to an improved strategy for designing effective energy harvesting devices and new applicative breakthroughs.
This research was supported by National R&D Program through the National Research Foundation of Korea (NRF) funded by Ministry of Science and ICT (2021R1A4A2001658, 2022R1A2C1003853, 2022R1F1A1063060 and RS\u20102023\u201000209910) and by the Virtual Engineering Platform Project through the Ministry of Trade, Industry, and Energy of Korea (P0022336). The computational resource was partially supported by Korea Supercomputing Center (KSC\u20102022\u2010CRE\u20100352).