Figure 5: DFT-calculated configurations of phenyl radical on Li1−xFePO4(010).
From: Unlocking the energy capabilities of micron-sized LiFePO4
Minimum energy adsorption configurations for a phenyl radical on (a) FePO4(010), (b) LiFePO4(010) with a surface Li vacancy and (c) stoichiometric LiFePO4(010). The white, green, black, red, purple and gold spheres represent H, Li, C, O, P and Fe atoms, respectively. The orientation of all of the surface models is the same and is indicated in b.
