The demand for secondary batteries is increasing rapidly with the popularization of electric vehicles and the expansion of wireless electronic devices. However, the most widely used lithium-ion batteries are subject to frequent fire incidents, limiting market growth. To avoid flammability, solid electrolyte-based systems are gaining attention for next-generation lithium-ion batteries. However, challenges such as limitations in ionic conductivity and high manufacturing costs require further research and development. In this study, we aim to identify a new nitrogen-based solid electrolyte material that has not yet been widely explored. We propose a methodology for selecting the final material through high-throughput screening (HTS), detailing the methods used for material selection and performance evaluation. In addition, we present ab initio molecular dynamics (AIMD) calculations and results for nitrogen-substituted materials with carbon and oxygen replacements, including Arrhenius plots, activation energy, and the predicted conductivity at 300K for the material with the highest Li-ion conductivity. While the performance does not yet surpass the ionic conductivity and activity of conventional solid-state electrolytes, our results provide a systematic framework for exploring and screening new solid electrolyte materials. This methodology can also be applied to the exploration of different battery materials and is expected to contribute significantly to the innovation of next-generation energy storage technologies.

Wide-area surface decontamination is essential during the sudden release of radioisotopes to the public, such as nuclear accidents or terrorist attacks. A spray coating composed of a reversible complex between poly (vinyl alcohol) (PVA) and phenylboronic acid-grafted poly (methyl vinyl ether-alt-mono-sodium maleate) (PBA–g–PMVE–SM) was developed to remove radioactive cesium from surfaces. The simultaneous spay of PVA and PBA–g–PMVE–SM aqueous polymer solutions containing Cs adsorbent to contaminated surfaces resulted in the spontaneous formation of a PBA–diol ester bond-based gel-like coating. The Cs adsorbent suspended in the gel-like coating selectively removed Cs-137 from the Cs-contaminated surface. The used gel-like coating were removed from surfaces by simple water rinsing. This recovery way has advantages compared with costly incineration to remove the organic materials for final disposal/storage of the radioactive waste. Thus, our spray coating is suitable for practical wide-area surface decontamination. In radioactive tests, the hydrogel containing Cs-adsorbent showed substantial Cs-137 removal efficiencies of 96.996% for painted cement and 63.404% for cement, which are 2.33 times better than the values for the commercial surface decontamination coating agent DeconGel.