Higher Than 90% Initial Coulombic Efficiency with Staghorn-Coral-Like 3D Porous LiFeO2- x as Anode Materials for Li-Ion Batteries.

Transition metal oxides represent a promising class of anode materials for high-capacity lithium-ion batteries. However, low initial coulombic efficiency (ICE, <80%) still remains a crucial challenge for practical applications. Herein, a unique 3D Fe(II)-rich porous LiFeO2- x comprising of staghorn-coral-like skeleton measuring ≈100 nm in diameter is demonstrated, which is readily prepared by reacting Fe2 O3 with LiH at 550 °C. When used as an anode material, the Fe(II)-rich LiFeO2- x delivers the presently known highest ICE value of 90.2% with 1170 mAh g-1 discharge capacity. The high ICE value can be ascribed to a fast conversion reaction of LiFeO2- x upon lithiation/delithiation facilitated by the presence of Fe(II), which generates oxygen vacancies and makes electron transportation much easier, based on the experimental results and density functional theory (DFT) calculations.