An efficiently bifunctional CoMoN cathode catalyst for Li-CO batteries.

Li-CO batteries, with their excellent energy density and ability to convert CO into electricity, are a potential solution to achieve the goal of carbon neutrality. However, due to the decomposition problem of the insulator lithium carbonate (LiCO), the practical process of the battery is hindered. Moreover, the battery exhibits a high over-potential and poor cycle performance. Therefore, the development of efficient and practical positive catalysts to reduce the activation energy of reactions is critical to breaking through these barriers. In this paper, a CoMoN/C@PPy positive catalyst with CoMoN nanoparticles anchored on a carbon substrate was prepared by using polypyrrole (PPy) as a nitrogen source to nitride and carbonize transition metal oxides during heat treatment. Li-CO batteries prepared by using the positive electrode have excellent performance. At 100 mA g, the specific discharge capacity is as high as 16,567.2 mAh g, the discharge platform is ∼2.68 V, and it can stably cycle for 85 cycles (>1600 h). Moreover, calculations based on first-principles physics aid in achieving a deeper comprehension of the mechanisms involved in both the discharge and charge processes. The findings from this research present a sustainable and secure approach to fabricate cost-effective and high-performance electrocatalysts with multifunctional capabilities.