Physical Review Letters · 2006 · 43 citations · 17 references
Natural SciencesChemistryPhysicsPhysical ChemistrySurface ChemistrySurface ScienceIntermolecular ForcesIntermolecular InteractionsMolecular InteractionsSingle-molecule MeasurementsSurface PhysicsSurface SpectroscopyScanning Tunneling Spectroscopy
Precision current measurements are recorded at 5 K during the approach and contact between a Pt-inked probe and the carbon-carbon double-bond region of an isolated 1,3-cyclohexadiene molecule chemisorbed on a Si(100) surface. Scanning tunneling spectroscopic data reveal systematic features in the current at specific probe-molecule separations. Aided by density functional theory calculations, we show that these features arise from interaction forces between the probe and molecule, which can be interpreted as the relaxation of the probe-molecule system prior to and during contact.
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First-principles simulation: ideas, illustrations and the CASTEP code
Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text
Electron Transport in Molecular Wire Junctions
Abraham Nitzan, Mark A. Ratner · Science · 2003 · 2.3K citations
Natural Sciences, Chemistry, Physics +14