Fig. 4: MoS2 with S atom in.
From: Revisiting the origin of non-volatile resistive switching in MoS2 atomristor
a Popped state b parent state (indicated by red arrows) with an average bond length of 1.91 Å and 2.40 Å from neighboring Mo atoms, respectively. c NPT d NVT time evolution of popped state under ReaxFF, M3GNet & DFT molecular dynamics. DFT and M3GNet based molecular dynamics relax the popped state to parent state within few femtoseconds in contrast with ReaxFF which holds S atom in popped state.
