Fig. 5: M3GNet molecular dynamic (NPT) snapshots taken for various atomristors.
From: Revisiting the origin of non-volatile resistive switching in MoS2 atomristor
a AuMG - 0 ps, b AuMG > 2 ps, c GMG – 0 ps, d GMG > 2 ps, e AuMAu – 0 ps, f AuMAu > 2 ps. g Popped S atom relaxing to parent state as indicated by the settling of Mo-S bond length around 2.4 Å in all atomristors. The red dashed circles indicate the position of S atom in popped state in initial structures (a, c, e) and a snapshot after 2 ps shows the S atom has relaxed to parent state (b, d, f). A same behavior was observed for NVT ensemble (Supplementary Fig. 3).
