Ni/NiO-graphene composite as the prospect material for lithium-ion batteries: ab initio insight
Olga E. Glukhova, Vladislav V. Shunaev; Saratov State University, Saratov, Russia
Abstract
3D graphene/NiO–Ni composite is the prospect material for high energy-density lithium-ion batteries due to its high capacity, structural flexibility and superior electrical conductivity. By the means of ab initio modeling the supercell of graphene/NiO–Ni composite was received and formation energy was calculated. Then the structure was intercalated by Li ions. At each step quantum capacitance was calculated and the most favorable structure was found.
Speaker
Vladislav Shunaev
Saratov State University
Russia
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