Identifying Chemical Factors Affecting Reaction Kinetics in Li-air Battery via ab initio Calculations and Machine Learning
Aiping Wang, Zheyi Zou, Da Wang, Yue Liu, Yajie Li, Junming Wu, Maxim Avdeev, Siqi Shi
Topics & Concepts
SolvationAb initioKineticsMaterials scienceChemical kineticsSolventBattery (electricity)Solvent effectsReaction mechanismChemical reactionDecompositionThermodynamicsPhysical chemistryComputational chemistryChemical physicsChemistryCatalysisOrganic chemistryQuantum mechanicsPhysicsPower (physics)Advanced Battery Materials and TechnologiesAdvancements in Battery MaterialsAdvanced Battery Technologies Research