Atomic/Molecular-level research

1-1. Atomic/Molecular-level research (DFT calculations for degradation properties and to investigate the propensity fo the degradation mechanisms)

Performing DFT calculations of LiMn2O4 structures for degradation properties and to investigate the propensity fo the degradation mechanisms

1-2. Atomic/Molecular-level research (DFT calculations for Next generation batteries (K-ion batteries))

Performing DFT calculations of K-ion battery structures for energy, diffusion, geometric parameters and mechanical properties (volume expansion, stiffness and modulus)

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