Multiprincipal Component P2-Na<sub>0.6</sub>(Ti<sub>0.2</sub>Mn<sub>0.2</sub>Co<sub>0.2</sub>Ni<sub>0.2</sub>Ru<sub>0.2</sub>)O<sub>2</sub> as a High-Rate Cathode for Sodium-Ion Batteries
Lufeng Yang, Chi Chen, Shan Xiong, Zheng Chen, Pan Liu, Yifan Ma, Wenqian Xu, Yuanzhi Tang, Shyue Ping Ong, Hailong Chen
Abstract
synchrotron X-ray diffraction were used to reveal the detailed structural evolution of the cathode upon cycling. Using the climbing-image nudged elastic-band calculation and Ab initio molecular dynamics simulations, we show that the optimal transition metal composition enables a percolating network of low barrier pathways for fast, macroscopic Na diffusion, resulting in the observed high rate performance.
Topics & Concepts
Materials scienceCathodeTransition metalIonDiffusionSynchrotronDiffractionOxideChemical physicsCrystallographyThermodynamicsPhysical chemistryChemistryMetallurgyPhysicsOpticsCatalysisBiochemistryOrganic chemistryNuclear physicsAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesSemiconductor materials and devices