Fig. 7: Bullvalene-driven tip reconstruction.
From: Controlling piezoresistance in single molecules through the isomerisation of bullvalenes
At d = 9.2 Å, an Amp bullvalene conformer is bound to two gold tips with interaction energies \(\Delta E\) with respect to separated tips and molecule: a initial extended structure bound to tip sides; b after relaxation to make a π-stacked structure located within the tip gap; c is activated to make a transition-state for tip reconstructing; d a cascade of processes leading to flattening of the lower tip; e a cascade of processes leading to flattening of the top tip. The atomic model used is a 3-layer Au(111) (5 × 5) surface with 10-atom tips; green- bullvalene 3-membered ring, cyan- other carbon, white- hydrogen, yellow- sulfur, gold- gold. Source data are provided as a Source Data file.
