Metal-organic frameworks-derived MCo2O4 (M = Zn, Ni, Cu) two-dimensional nanosheets as anodes materials to boost lithium storage

Abstract

Transition metal oxides (TMOs) have received significant consideration. Because of their enormous theoretical capacity, cheap, and less toxicity. Notably, cobalt-based materials hold promises as negative electrode materials for batteries, but they suffer from less electrical conductivity and significant volume changes during operation. In order to address these challenges, sacrificial templating techniques at the nanoscale offer a potential solution for improving the electrochemical stability and rate performance of these materials. More specifically, these tactics have proven popular for designing Li-ion storages. To ascertain the impact of multiple metal ions on the electrochemical capacity, metal organic frameworks (MOFs) derived MCo2O4-MOF (M = Zn, Ni, Cu) were developed. Among these, ZnCo2O4 showed the best electrochemical performance (927.2 mAh g-1 at 0.1 A g-1 after 250 cycles). Furthermore, calculations based on density functional theory (DFT) revealed that ZnCo2O4 had the lowest Li+ adsorption energy, with a minimum value of −1.61 eV. Moreover, this research aims to design controllable nanostructures in order to enhance the design of transition bimetallic oxide composites for energy storage applications.