A new material discovery platform of stable layered oxide cathodes for K-ion batteries
Sohyun Park, Sunhyeon Park, Young Park, Muhammad Hilmy Alfaruqi, Jang‐Yeon Hwang, Jaekook Kim
Abstract
A new materials discovery platform based on combined machine learning (ML) and density functional theory (DFT) for screening and experimental validation is proposed for designing a stable K x MnO 2 cathode in K-ion batteries.
Topics & Concepts
CathodeDensity functional theoryIonMaterials scienceNanotechnologyOxideComputer scienceChemistryComputational chemistryPhysical chemistryMetallurgyOrganic chemistryMachine Learning in Materials ScienceAdvancements in Battery MaterialsX-ray Diffraction in Crystallography