Table 1 Minimal 1,2 and 3-dimensional path migration energies of known and potential K+ ion conductors, based on nudged elastic band density functional theory calculations39
From: Solid-state inorganic electrolytes for next generation potassium batteries
Structure | Minimal path migration energy [eV] | ||
|---|---|---|---|
1D | 2D | 3D | |
KFeO2 | 0.106 | 0.155 | 0.227 |
KAlO2 | 0.094 | 0.135 | 0.257 |
K2Cu3Ge5O14 | 0.261 | 0.883 | |
K2SbPO6 | 0.292 | 0.359 | 0.668 |
K5As3O10 | 0.279 | 0.300 | 0.425 |
K4V2O7 | 0.218 | 0.341 | 0.388 |
K2Zn3O4 | 0.064 | - | - |
K2Sb4O11 | 0.096 | - | - |
K3NbAs2O9 | 0.130 | - | 0.611 |
K3NbP2O9 | 0.195 | - | 0.774 |
K2Al2Sb2O7 | - | 0.141 | - |
K6CuSi2O8 | 0.240 | 0.463 | 0.512 |