Insertion of mono- vs. Bi- vs. trivalent atoms in prospective active electrode materials for electrochemical batteries: An ab initio perspective

• Main Authors: Kulish, V.V, Koch, D, Manzhos, S
• Other Authors: MECHANICAL ENGINEERING
• Format: Article
• Published: MDPI AG 2020
• Subjects: Anodes; Calculations; Cathodes; Computation theory; Diffusion; Dispersions; Electrochemical electrodes; Energy storage; Intercalation; Metal ions; Sodium-ion batteries; Sulfur; Tin oxides; Titanium dioxide; Transition metals; Ab initio modeling; Active electrode materials; Computational parameters; Electrochemical activities; Electrochemical batteries; Ion batteries; Magnesium ions; Potassium ions; Lithium-ion batteries
• Online Access: https://scholarbank.nus.edu.sg/handle/10635/174369
• Institution: National University of Singapore

10.3390/en10122061