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
2013
Efficiency of Interfacial Electron Transfer from Zn-Porphyrin Dyes into TiO2 Correlated to the Linker Single Molecule Conductance
Negre C, Milot R, Martini L, Ding W, Crabtree R, Schmuttenmaer C, Batista V. Efficiency of Interfacial Electron Transfer from Zn-Porphyrin Dyes into TiO2 Correlated to the Linker Single Molecule Conductance. The Journal Of Physical Chemistry C 2013, 117: 24462-24470. DOI: 10.1021/jp408738b.Peer-Reviewed Original ResearchDye-sensitized solar cellsSingle-molecule conductanceElectron injection efficiencyZn-porphyrin dyeMolecule conductanceLinker moleculesHigh performance dye-sensitized solar cellsZn-porphyrin complexInterfacial electron transferEfficient electron transportInjection efficiencyMolecular conductanceAdsorbate complexesElectron transferMolecular linkersSame chromophoreTiO2 nanoparticlesSolar cellsDyeModular assemblyMoleculesSpectroscopySemiconductor interfaceLinkerElectron transport