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. 2021 Dec 16;14(3):984–992. doi: 10.1039/d1nr06484c

Fig. 4. (a) Energy and conductance as a function of electrode displacement. The inset shows the force applied to the junction. The room-temperature conductance at T = 300 K, computed from eqn (2), is compared to the low-temperature approximation GG0τ(EF). Zero displacement corresponds to the compressed junction state, shown in Fig. 3a. The vertical dashed lines indicate bridge flipping events, see Fig. 3b and c. (b) Transmission as a function of energy and electrode displacement for the single-molecule junction of Fig. 3. Arrows at the top of the plot mark bridge flipping events. The horizontal dashed line shows the Fermi energy EF. Running along it yields the low-temperature approximation of the conductance GG0τ(EF), shown in panel (a).

Fig. 4