ABSTRACT Na 4 Fe 3 (PO 4 ) 2 P 2 O 7 (NFPP) cathode material exhibits a robust structural stability, conferring long cycle life for sodium‐ion batteries. Nevertheless, the intrinsically low electronic and ionic conductivities of NFPP impede its widespread practical applications. Herein, a high‐throughput density functional theory screening paradigm coupled with experimental validation, was employed to systematically identify and optimize dopants for NFPP, enhancing its electrochemical performanc
High‐Throughput Calculation Identifying Boron and Tin Dopants for Optimizing Na 4 Fe 3 (PO 4 ) 2 P 2 O 7 Cathode
Yuqiao Jiang·Zhenming Xu·远鹏 林·Heli Liu·Guodong Li·Junwu Tian·Liwei Dong·Chaohong Guan·Zhiyi Jiang·Zhenhui Liu·Mingbo Zheng·Yongyao Xia·Lin Lu
