Pair distribution function analysis: Fundamentals and application to battery materials
Wang Xuelong, Tan Sha, Yang Xiao-Qing, Hu Enyuan
       

LixTi0.35Ni0.35Nb0.1O1.8F0.2 refinement results of the (a) neutron powder diffraction with its crystal structure shown in the inset, and (b) neutron PDF patterns with atom pair distance and corresponding PDF peaks labeled. (c) The ex-situ local neutron PDF patterns (left panel), and variation of the average O–O distance (right panel). [110] STEM-HAADF images of the (d) pristine and (e) 4.8 V charged samples, the corresponding average distances of the nearest-neighbor O–O columns projected along the [110] axis are labeled in the structure schematic.[56]