Fig. 3: Crystal lattice evolution induced by protons.
From: Proton-exchange induced reactivity in layered oxides for lithium-ion batteries
a, b XRD patterns of pure water and 4M LiOH solution treated NCM materials (W-NCM and 4M-NCM). c, d c and a lattice parameter evolution of NCM materials after treatment of chemical delithiation, pure water, 0.1M, 1M and 4M LiOH solutions. e–g Relaxed structures and calculated planar-average (along [001]) of the total potential energy of Li(NiCoMn)1/3O2 (e), Li0.44(NiCoMn)1/3O2 (f) and Li0.44H0.54(NiCoMn)1/3O2 (g). The yellow ball represents Li ions. The pink octahedral represents CoO6. The gray octahedral represents MnO6. The blue octahedral represents NiO6. Source data are provided as a Source Data file.
