Formation and Evolution of Single Molecule Junctions

Physics – Condensed Matter – Mesoscale and Nanoscale Physics

Scientific paper

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10 pages, 4 figures, submitted

Scientific paper

10.1103/PhysRevLett.102.126803

We analyze the formation and evolution statistics of single molecule junctions bonded to gold electrodes using amine, methyl sulfide and dimethyl phosphine link groups by measuring conductance as a function of junction elongation. For each link, maximum elongation and formation probability increase with molecular length, strongly suggesting that processes other than just metal-molecule bond breakage play a key role in junction evolution under stress. Density functional theory calculations of adiabatic trajectories show sequences of atomic-scale changes in junction structure, including shifts in attachment point, that account for the long conductance plateau lengths observed.

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