Nano ZrO 2 Modification for Enhancement of the Electrochemical Performance of Li-Rich Manganese-Based Cathodic Materials.

In this work, high-temperature solid-phase techniques have been used to produce both natural and nano ZrO ₂ -modified Li-rich manganese-based cathodic materials. Several characterizations were carried out to evaluate the morphology, structure, electrical state, and elemental content of unmodified as well as nano-modified Li _1.2 Ni _0.13 Co _0.13 Mn _0.54 O ₂ . The results of electrochemical tests showed that cathodic materials modified with 0.02 mol nano ZrO ₂ performed extremely well electrochemically, with initial discharge capacity and coulombic efficiency at 0.1 C reaching up to 308.5 mAh g ^-1 and 95.38%, respectively. After 170 cycles at 0.2 C, a magnitude of 200.2 mAh g ^-1 for the final discharge capacity was attained, which translates to a capacity retention of 68.68%. Calculations using density functional theory (DFT) show that adding nanoscale ZrO ₂ speeds up Li-ion diffusion and increases conductivity by lowering the barrier energy for the migration of Li ions. The structural layout of Li-rich manganese-based cathodic materials may therefore be clarified by the proposed modification technique for nano ZrO ₂ .