Phosphorous and Nitrogen Dual‐Doped Carbon as a Highly Efficient Electrocatalyst for Sodium‐Oxygen Batteries

Abstract Sodium‐oxygen batteries have been regarded as promising energy storage devices due to their low overpotential and high energy density. Its applications, however, still face formidable challenges due to the lack of understanding about the influence of electrocatalysts on the discharge products. Here, a phosphorous and nitrogen dual‐doped carbon (PNDC) based cathode is synthesized to increase the electrocatalytic activity and to stabilize the NaO 2 superoxide nanoparticle discharge products, leading to enhanced cycling stability when compared to the nitrogen‐doped carbon (NDC). The PNDC air cathode exhibits a low overpotential (0.36 V) and long cycling stability (120 cycles). The reversible formation/decomposition and stabilization of the NaO 2 discharge products are clearly proven by in‐situ synchrotron X‐ray diffraction and ex‐situ X‐ray diffraction. Based on the density functional theory calculation, the PNDC has much stronger adsorption (−2.85 eV) for NaO 2 than that of NDC (−1.80 eV), which could efficiently stabilize the NaO 2 discharge products.