Effect of Mo6+ induced valence changes of transition metal ions in Mn-rich layered cathode materials on electrochemical performance

Layered cathode materials for lithium-ion batteries have been extensively investigated; however, comparatively scant attention has been paid to Mn-rich layered cathode materials. Herein, LiNi 0.5 Mn 0.5 O 2 cathode materials are doped to investigate the effect of doping elements on the electrochemical properties of Mn-rich layered cathodes. XRD (X-ray diffraction), XPS (X-ray photoelectron spectroscopy), and SQUID (superconducting quantum interference device) results reveal that Mo doping affects the electrochemical properties of the cathode materials by changing the valence state of transition metal ions. Due to the Mo 6+ ions doping, a large proportion of Mn 3+ ions present in LiNi 0.5 Mn 0.5 O 2 were converted to Mn 4+ ions, which alleviated the Jahn-Teller effect and reduced the elongated Mn-O octahedra, thus increasing the Li layer spacing and facilitating Li + diffusion. Therefore, 1 % Mo-doped cathode exhibits a significantly improved Li-ion diffusion coefficient and superior rate performance with a specific discharge capacity of 103 mAh·g −1 at 5C. Meanwhile, the cathode materials significantly improve cycling performance due to the reduction in the amount of Mn 3+ . The current study provides guidelines for the modification of Mn-rich layered cathodes in the future.