阴极
材料科学
电池(电)
离子
量子
拓扑(电路)
电化学
电解质
化学物理
纳米技术
化学
物理化学
物理
电气工程
电极
热力学
量子力学
功率(物理)
工程类
作者
Yongyi Wang,Jiahui Liu,Peng-Hu Du,Zhichao Sun,Qiang Sun
出处
期刊:ACS applied energy materials
[American Chemical Society]
日期:2023-04-20
卷期号:6 (9): 4503-4510
标识
DOI:10.1021/acsaem.3c00438
摘要
Among the key parts of metal-ion batteries, cathode materials significantly affect the energy density and cycling stability. However, due to the large size of K+, not much progress has been made on cathode materials for K-ion batteries (KIBs). In this study, using the Atomistic Line Graph Neural Network and first-principles calculations, for the first time we screen cathode materials for KIBs from 7385 topological quantum materials with high electronic conductivity and reversible capacity. The experimentally synthesized K2MnS2 is discovered to have a reversible capacity of 203.8 mAh/g, an energy density of 564.5 Wh/kg, a small volume change of 6.4%, and multiple channels for K+ transport with fast dynamics. Furthermore, K2MnS2 shows high electrochemical interface stability with the reported solid electrolytes of K4V2O7, and K3NbP2O9. These findings suggest that topological quantum materials expand the design space of battery cathodes.
科研通智能强力驱动
Strongly Powered by AbleSci AI