Turn “Waste” Into Wealth: MoO ₂ @coal Gangue Electrocatalyst with Amorphous/Crystalline Heterostructure for Efficient Li–O ₂ Batteries

Abstract Unreasonable accumulation of coal gangue in mining area has become the major source of global pollution. Probing the high‐valued utilization of coal gangue has become a key approach to address the problem. Herein, a promising catalyst of MoO 2 @coal gangue with amorphous/crystalline heterostructure derived from mine solid waste, which acts as an efficient cathode for Li–O 2 batteries is first reported. Impressively, the as‐prepared catalyst exhibits a favorable initial discharge capacity of 9748 mAh g −1 and promising long‐term cyclic stability over 2200 h. Experimental results coupled with density functional theory (DFT) analysis reveal that the synergistic interaction between high‐activity MoO 2 and stable SiO 2 , unique amorphous/crystalline heterostructure and the modified interfacial adsorption of LiO 2 intermediate are critical factors in promoting the electrochemical performance. This work provides a new insight to design marked electrocatalysts by mine solid waste for Li–O 2 batteries.