The Journal of Physical Chemistry Letters · 2010 · 70 citations · 39 references
Natural SciencesChemistryPhysicsPhysical ChemistrySurface ChemistrySurface ScienceAdsorption At InterfacesMolecular InteractionsQuantum TunnelingScanning Probe MicroscopySurface AdsorptionSurface PhysicsAdsorption GeometryConductanceConductance MechanismsMolecular ElectronicsMolecular Transport At InterfacesTunneling In NanostructuresTunneling PhenomenaTunneling Transport
We exploit several scanning tunneling microscopy (STM) techniques, such as atom manipulated scans and constant-height scans, to atomically resolve the adsorption geometry of isolated cobalt-phthalocyanine (CoPc) molecules on a copper (111) surface and to obtain proper low-temperature maps of the molecular conductance. By comparing these crucial findings to density functional calculations, we then provide fresh insight into the CoPc−metal interface. This innovative STM study should be applicable to a wide variety of molecules relevant for molecular electronics.
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<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17