Fig. 1: Schematic diagram of supposed P2/P3 interphase gliding and the gliding-inhibition mechanism.
a The two gliding patterns of the interphase MO2 layer and corresponding changes of oxygen layers sequence. The top-right diagram, corresponding to the [001] perspective, depicts the three oxygen atom sites (A/B/C) and indicate the slip directions with arrows. b, c The new structure 1(2) after the interphase gliding by pattern 1(2), with oxygen layers sequence of ABBCABAC(ABBCBCAC). d The calculated formation energy of the original structure and the two new structures, with a fixed Na concentration of 0.6. e The calculated formation energy of the three structures with various Na concentration, with the highest value sets to 0. f, g The phase evolution induced by the supposed interphase gliding behaviors in the scenario of electrochemical sodiation/desodiation process. The color of sodium prismatic or octahedra signifies the energy favorability of phase transitions: red indicates unfavorable, and green denotes favorable transitions. The not-pass symbol-“X” represents energetically unfavorable phases in the current state. Evidently, in all cases, the glide of interphase leads to the emergence of at least one energetically unfavorable phase; hence, the interphase gliding is energetically inhibited. Source data are provided as a Source Data file.
