Fig. 8: Simulated conductance traces for collapsed tips.
From: Controlling piezoresistance in single molecules through the isomerisation of bullvalenes
The collapsed structures for Cmp (red trace) and E (blue trace) optimised at d = 6.8 Å are retracted using MD at a rate of 1 Å ps−1 and the conductance calculated (exposing sub-ps-timescale dependence of conductance on atomic vibration). The strong conductance predicted at d = 8–10 Å could account for the observed average 100 \(\mu {G}_{0}\) observed in Fig. 3c, whilst the conductance at greater extension could account for the observed 9 and 13 \(\mu {G}_{0}\) peaks. Source data are provided as a Source Data file.
