材料科学
阴极
结构稳定性
价(化学)
兴奋剂
过渡金属
化学物理
氧化物
充电顺序
金属
电荷(物理)
纳米技术
电子结构
联轴节(管道)
扩散
分子动力学
化学计量学
氧化还原
结晶学
离子
工作(物理)
化学工程
复合氧化物
价电子
纳米结构
纳米颗粒
扩散阻挡层
作者
Yongfeng Jia,Xuanpeng Wang,Jiashen Meng,Lujun Zhu,Fanjie Xia,Hong Wang,Fang Liu,Xiao Zhang,Quanquan Pang,Jian Wang,Zhitong Xiao
标识
DOI:10.1002/adfm.202532018
摘要
ABSTRACT Layered transition metal oxides represent attractive cathode candidates for potassium‐ion batteries (PIBs), due to their high theoretical specific capacity. However, sluggish K + diffusion and structural instability, stemming from the inherent K + /vacancy ordered structure, lead to poor rate performance and cycling stability. Herein, a charge‐ion coupling engineering strategy, wherein transition‐metal electronic structure is tuned to modulate interlayer K + /vacancy configurations, is initially pioneered. Specifically, a K + /vacancy‐disordered P3‐type structure is constructed via targeted transition metal (TM) doping in Mn/Co‐based layered oxides. Exploiting the identical valence of Ti 4+ and Mn 4+ coupled with their divergent redox potential, the doping sites suppress charge ordering within TM slabs through modulating charge delocalization, thereby inducing interlayer K + /vacancy disordering. The K + /vacancy disordered K 0.5 Mn 0.8 Co 0.1 Ti 0.1 O 2 delivers long‐term stability with 58.6 mAh g −1 over 800 cycles at 1 A g −1 and remarkable rate capability of 61.7 mAh g −1 at 2 A g −1 , facilitating a highly reversible single‐phase solid‐solution reaction in K 0.5 Mn 0.8 Co 0.1 Ti 0.1 O 2 and enhancing the structural stability during K + extraction/insertion. Meanwhile, molecular dynamics simulations demonstrate that the K + /vacancy disordered structure contains interconnected channels enabling continuous and rapid K + diffusion. This work establishes a cation substitution strategy for manipulating K + /vacancy order‐disorder to develop high‐performance, kinetically robust cathode materials for next‐generation PIBs.
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