Ab Initio Modeling of Electrolyte Molecule Ethylene Carbonate Decomposition Reaction on Li(Ni,Mn,Co)O₂ Cathode Surface

Engineering & Materials Science

• Carbonates 100%
• Ethylene 92%
• Cathodes 87%
• Molecules 86%
• Electrolytes 85%
• Decomposition 63%
• Solid electrolytes 35%
• Lithium-ion batteries 27%
• Density functional theory 18%
• Transition metals 18%
• Cathode materials 17%
• Fluorine 17%
• Passivation 15%
• Atoms 13%
• Electric potential 12%
• Chemical reactions 12%
• Crystals 12%
• Ions 11%
• Electrodes 9%

Chemical Compounds

• Carbonate 69%
• Cathode 64%
• Molecule 30%
• Surface 28%
• Solid Electrolyte 25%
• Ring Opening Reaction 22%
• Voltage 18%
• Decomposition 16%
• Chemical Passivation 12%
• Metal Atom 12%
• Fluorine Atom 11%
• Ab Initio Calculation 10%
• Hydroxyl 10%
• Transition Element 9%
• Density Functional Theory 7%
• Behavior as Electrode 6%
• Ion 4%