“…Among the various experimental techniques a most promising approach is the use of optical nearfield probes in the form of gold-coated glass tips acting both as one of the anchor points for a single molecule attached as usual via thiolate bonds and, at the same time, as a nano light source operating just at the tip apex where the molecule is attached. [31,32] In summary, we carried out an extensive ab initio simulation study of mechanical, optical, and opto-mechanical switching of a dithioazobenzene bridge between two gold electrodes to elucidate the switching properties of chromophores embedded in junctions. We find that purely optical switching cycles are mechanically hindered due to tip-induced constraints.…”