Electrolyte Material Screening for Oxygen Radical Suppression

The patent applies preliminary action by pre-calculating and storing key parameters (electron affinity, ionization energy, HOMO/LUMO levels) of organic substances in a database before actual battery assembly. This allows the screening system to quickly evaluate candidate materials against oxygen radical interaction criteria without performing time-consuming experiments for each candidate, thus resolving the contradiction between reliable material selection and time consumption.

The patent uses computational modeling to create virtual representations of electrolyte materials and their interactions with oxygen radicals. By simulating electron transfer processes and calculating interaction energies in silico, the system identifies promising candidates before physical experimentation, reducing the need for repetitive experimental trials and accelerating the material discovery process.

The patent transforms the material screening process from experimental parameter measurement to computational parameter calculation. By changing the approach from physical testing to in-silico calculation of electron affinity, ionization energy, and interaction energy parameters, the system maintains reliable material selection while dramatically improving development efficiency and reducing resource consumption.

The patent replaces the mechanical/experimental system of material testing with a computational information processing system. Instead of physically assembling and testing batteries with different electrolyte candidates, the system uses computer-based calculations to predict material performance, substituting experimental mechanics with computational physics and chemistry.