Han‐Hao Liu, Jia-Lin Yang, Zhen-Yi Gu, Yue Liu, Xiao-Tong Wang, Changtu Zheng, Changshan Xu, Dai‐Huo Liu, Wei Guo, Xing-Long Wu
O intermediates (adsorption energy: -5.35 to -5.64 eV), which is attributed to the synergistic modulation of the electronic structure within the high-entropy environment, thereby accelerating conversion reactions. Bond length analysis identifies the weakening of Li-O bonds near active sites, with Cr exerting the most profound influence. Furthermore, we establish the metal-oxygen bonding radius as a critical descriptor for predicting high-entropy spinel formation. This work unveils the fundamental principle of elemental cooperation in high-entropy oxides, providing crucial guidance for the targeted design of high-performance multicomponent electrodes.