2014
High-Conductance Conformers in Histograms of Single-Molecule Current–Voltage Characteristics
Ding W, Negre C, Vogt L, Batista V. High-Conductance Conformers in Histograms of Single-Molecule Current–Voltage Characteristics. The Journal Of Physical Chemistry C 2014, 118: 8316-8321. DOI: 10.1021/jp503193m.Peer-Reviewed Original ResearchOptimal charge transport propertiesFavorable electronic couplingSingle molecular junctionCharge transport propertiesBroadening of bandsBreak-junction experimentsMolecular assembliesMolecular conductanceChemical stabilityElectronic couplingMolecular conformationTransport propertiesMolecular junctionsSingle moleculesRational designMolecular orientationExperimental transport propertiesCharge transportElectronic statesMinimum energy configurationNonequilibrium Green's function methodConformationMoleculesEnergy configurationComputational methodology
2010
Single-Molecule Interfacial Electron Transfer in Donor-Bridge-Nanoparticle Acceptor Complexes
Jin S, Snoeberger R, Issac A, Stockwell D, Batista V, Lian T. Single-Molecule Interfacial Electron Transfer in Donor-Bridge-Nanoparticle Acceptor Complexes. The Journal Of Physical Chemistry B 2010, 114: 14309-14319. PMID: 20225886, DOI: 10.1021/jp911662g.Peer-Reviewed Original ResearchInterfacial electron transferElectron transferAcceptor complexesSingle moleculesSingle-molecule conditionsSingle-molecule levelET ratesElectronic coupling strengthEnsemble average levelFluorescence lifetimeDonor–BridgeShort fluorescence lifetimeMolecular conformationMolecule levelMolecule conditionsDifferent moleculesMoleculesFluorescence decayComplexesSulforhodamine BConformationComplete samplingSRHBComputational modelingTransfer