Enhancing prediction of electron affinity and ionization energy in liquid organic electrolytes for lithium-ion batteries using machine learning

Y Zhan, X Ren, S Zhao, Z Guo - Journal of Power Sources, 2025 - Elsevier
The electron affinity (EA) and ionization energy (IE) of battery electrolyte molecules are
pivotal in determining the electrochemical properties of electrode materials, significantly …