title: Formation and evolution of single-molecule junctions.
abstract: 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, the 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 the attachment point, that account for the long conductance plateau lengths observed.
authors.affiliation: Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY, USA.
authors.forename: M
authors.initials: M
authors.lastname: Kamenetska
authors.forename: M
authors.initials: M
authors.lastname: Koentopp
authors.forename: A C
authors.initials: AC
authors.lastname: Whalley
authors.forename: Y S
authors.initials: YS
authors.lastname: Park
authors.forename: M L
authors.initials: ML
authors.lastname: Steigerwald
authors.forename: C
authors.initials: C
authors.lastname: Nuckolls
authors.forename: M S
authors.initials: MS
authors.lastname: Hybertsen
authors.forename: L
authors.initials: L
authors.lastname: Venkataraman