@misc{wu_machine_learningguided_2025, author={Wu, Yulong,Snihirova, Darya,Würger, Tim,Wang, Linqian,Feiler, Christian,Höche, Daniel,Lamaka, Sviatlana V.,Zheludkevich, Mikhail L.}, title={Machine learning-guided discovery of high-efficiency electrolyte additives for aqueous magnesium-air batteries}, year={2025}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.ensm.2025.104120}, abstract = {Besides alloying, electrolyte additives have emerged as an effective strategy to overcome parasitic anodic hydrogen evolution reactions, and the formation of detrimental deposit layers at Mg-based anodes, thus improving the discharge behavior of Mg-air batteries. However, discovering suitable electrolyte additives through experimental testing is time-consuming and labor-intensive, given their high number of potential candidates. Our recently developed machine learning-based adaptive design was used iteratively in this work. Based on this, electrolyte additive 2,3-dihydroxynaphthalene was discovered, which achieved in a lab-made (Mg-0.2Ca)-air battery a cell voltage of 1.82 V and anodic utilization efficiency of 83%, yielding a specific energy of 3.37k Wh kg−1. This represents the highest recorded value among all Mg-air batteries reported to date. The results highlight the high potential of machine learning-guided discovery of high-efficiency electrolyte additives to further push the cutting-edge development of high-energy-density Mg-air batteries.}, note = {Online available at: \url{https://doi.org/10.1016/j.ensm.2025.104120} (DOI). Wu, Y.; Snihirova, D.; Würger, T.; Wang, L.; Feiler, C.; Höche, D.; Lamaka, S.; Zheludkevich, M.: Machine learning-guided discovery of high-efficiency electrolyte additives for aqueous magnesium-air batteries. Energy Storage Materials. 2025. vol. 76, 104120. DOI: 10.1016/j.ensm.2025.104120}}