2 research outputs found
Screening Topological Quantum Cathode Materials for K‑Ion Batteries by Graph Neural Network and First-Principles Calculations
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
Additional file 1 of Study on disinfection effect of a 222-nm UVC excimer lamp on object surface
Additional file 1: Table S1. Irradiance of LPM lamp and 222-nm UVC excimer lamp. Figure S1. The “tunnel-type” disinfection device