Fig. 7: DFT-CINEB calculation for Au-MoS2 interface in atomristor (View from first Au interfacial layer). | npj 2D Materials and Applications

Fig. 7: DFT-CINEB calculation for Au-MoS2 interface in atomristor (View from first Au interfacial layer).

From: Revisiting the origin of non-volatile resistive switching in MoS2 atomristor

Fig. 7

a Initial state with monosulfur vacancy (VS - black dashed circle), two Au atoms at a distance of 3.10 Å (Au1 - red dashed circle) /3.76 Å (Au2 - blue dashed circle) from VS. b Final state with Au1 atom adsorbed at a monosulfur vacancy. c Final state with Au2 atom adsorbed at monosulfur vacancy. d CINEB energy migration barriers for Au1 and Au2 adsorption at VS. The different energy barriers (0.22/0.49 eV) highlight the significance of Au-VS distance which eventually impacts VSET voltage in atomristors. (Side View – Supplementary Fig. 4).

Back to article page