GRAPHICAL ABSTRACT
Volodymyr S. Kuts, Kateryna V. Voitko, Olga M. Bakalinska, Oleksandr V. Bakalinskyi, Mykola M. Kartel
Quantum-chemical modelling of the fullerene-type (SiC)12nanocluster for high-performance lithium-ion batteries
The quantum-chemical study shows that Si/C fullerene-like nanocomposites have improved electrochemical properties and are a great alternative as electrode material for lithium-ion batteries. The introduction of the 30 mass% of Carbon atoms in the Si matrix leads to the disappearing of the electrode volume changing.