Ligands Empowerment of One‐Dimensional Micro‐Nano Nickel‐Cobalt Salicylate Complexes for Nickel‐Zinc Batteries Assisted by Machine Learning

ABSTRACT We synthesized nine different salicylate complexes (Ni/Co‐ρHSA) with varying Ni/Co ratios and found that the Ni/Co ratio can be freely controlled, all Ni/Co‐ρHSA samples maintained a slender 1D nanofibrous structure. Building on the aforementioned research, we further investigated four additional ligands and adjusted different Ni/Co ratios for each ligand, resulting in the synthesis of 45 different Ni/Co ratio Ni/Co‐ρXSA (X═H, Me, F, Cl, Br) complexes. We found that as the ligand substituents increased, the morphology of the complexes changed accordingly, with Ni/Co‐ρMeSA exhibiting the finest nanofibers. Through electrochemical performance analysis, we also found that Ni/Co(9:1)‐ρMeSA has the best electrochemical properties. By machine learning (ML), we calculated the discharge ratio capacity change formula of the above ligands under different Ni/Co ratios and predicted the discharge performance of Ni/Co(7:3)‐ρMeSA, which proved the accuracy of the formula. The soft‐packaged battery assembled using Ni/Co(9:1)‐ρMeSA//Zn also demonstrated a high initial voltage (1.32 V) and practical applicability, with in situ fourier transform infrared spectroscopy and X‐ray photoelectron spectroscopy further elucidating its electrochemical mechanism. This study provides new insights for novel energy materials in the field of nickel–zinc batteries.