Kunihiro Nobuhara

Electrochemical Li+ insertion capabilities of Na4−xCo3(PO4)2P2O7 and its application to novel hybrid-ion batteries

Electrochemically Na+-extracted Na4−xCo3(PO4)2P2O7 exhibits both Li+ and Na+ insertion capabilities. Given these compatibilities, novel hybrid-ion batteries were demonstrated by combining a Na4Co3(PO4)2P2O7 positive electrode and Li4Ti5O12 negative electrode in a lithium-based electrolyte.

Global minimum structure search in LixCoO2 composition using a hybrid evolutionary algorithm

The global minimum structures for Li(x)CoO(2) compositions where 0 ≤ x ≤ 1 were probed by using a hybrid evolutionary algorithm with an underlying ab initio structural relaxation scheme. The method successfully predicted experimentally observed variants of layered configurations at various degrees of lithiation and the spinel (Fd3[combining macron]m) phase at x = 1/2. New low-energy non-layered host structures at x < 1/2 were also revealed. These structures can be formed from the usual layered configuration through coherent stacking faults along the c-axis and the migration of Co ions into the Li-poor intercalation layer.