In Situ Formation of Boron and Carbon Co-Doped α-MoO3 Single Crystal as Cathode Materials for High-Performance Lithium-Ion Batteries

Molybdenum trioxide holds the promise of high-performance cathodes for lithium-ion batteries. This study introduces a facile one-step method for large-scale synthesizing B, C co-doped α -MoO 3 single crystals by simultaneous decomposition of boric acid, carburization and vapor deposition on a molybdenum substrate. Experimental characterizations indicate that the B and C co-doping promotes the carrier mobility by inducing impurity states near the Fermi level. Additionally, when subjected to the high voltage, the Mo-C and Mo-B bonds become the controlling factors for enhancing the structural stability through the reduced interplanar spacing which facilitates the restriction of transition-metal ion migration. The target material delivers a high discharge capacity of 305 mAh g −1 with initial Coulombic efficiency of 98%, and shows remarkable cycle stability with a specific capacity of 280 mAh g −1 after 80 cycles. This study sheds light on a new strategy for designing and controlling of the doping activity in other transition-metal-oxides for next-generation lithium-ion batteries.