High Stability and Long Cycle Life of Rechargeable Sodium-Ion Battery Using Manganese Oxide Cathode: A Combined Density Functional Theory (DFT) and Experimental Study

Sodium-ion batteries (SIBs) can develop cost-effective and safe energy storage technology for substantial demands. In this work, we have developed manganese oxide (?-MnO2) nanorods SIB applications. The crystal structure, which is crucial high-performance storage, examined systematically the metal cathode. intercalation of sodium into ?-MnO2 matrix was studied using theoretical density functional theory (DFT) studies. DFT studies predict Na ions’ facile diffusion kinetics through MnO2 lattice with an attractively low barrier (0.21 eV). When employed as a cathode material SIBs, showed moderate capacity (109 mAh·g–1 at C/20 current rate) superior life cyclability (58.6% after 800 cycles) in NaPF6/EC+DMC (5% FEC) electrolyte. It shows much higher 181 (C/20 NaClO4/PC electrolyte, though it suffers fast fading (11.5% cycles). Our findings show that high crystallinity hierarchical nanorod morphology are responsible better cycling performance conjunction sustained charge-discharge behaviors.