Lau, Kah Chun; Qiu, Dantong; Luo, Xiangyi; Greeley, Jeffrey - In: Energies 8 (2015) 1, pp. 529-548
We describe a series of metastable Li<sub>2</sub>O<sub>2</sub> crystal structures involving different orientations and displacements of the O<sub>2</sub><sup>2−</sup> peroxy ions based on the known Li<sub>2</sub>O<sub>2</sub> crystal structure. Within the vicinity of the chemical potential ΔG ~ 0.20 eV/Li from the thermodynamic ground state of the Li<sub>2</sub>O<sub>2</sub>...
