Table 1 The relaxed surface areas, dangling bonds of Co2+ and Co3+ ions and surface energies of {100}, {110}, {111} and {112} crystal planes
From: Single Crystalline Co3O4 Nanocrystals Exposed with Different Crystal Planes for Li-O2 Batteries
Crystal planes | Relaxed surface area (Å2) | Dangling bonds of Co2+ ions number | Dangling bonds of Co3+ ions number | Density of dangling bonds of Co2+ ions (Å−2) | Density of dangling bonds of Co3+ ions (Å−2) | Total density of dangling bonds (Å−2) | Surface energy (J m−2) |
|---|---|---|---|---|---|---|---|
{100} | 34.13 | 2 | 2 | 6.13 | 6.13 | 12.27 | 0.92 |
{110} | 47.96 | 2 | 4 | 4.34 | 8.68 | 13.02 | 1.31 |
{111} | 33.11 | 0 | 9 | 0 | 27.70 | 27.70 | 2.31 |
{112} | 83.23 | 3 | 9 | 3.75 | 11.26 | 15.02 | 1.46 |