2018
CO2 Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields
Clark M, Ge A, Videla P, Rudshteyn B, Miller C, Song J, Batista V, Lian T, Kubiak C. CO2 Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields. Journal Of The American Chemical Society 2018, 140: 17643-17655. PMID: 30468391, DOI: 10.1021/jacs.8b09852.Peer-Reviewed Original ResearchInterfacial electric fieldSum frequency generation spectroscopyStark tuning rateReduction catalystAu electrodePotential-dependent frequency shiftNew catalytic electrodesCO2 reduction catalystsGold electrode surfaceFrequency generation spectroscopySite of CODensity functional theoryMolecular catalystsCatalytic electrodesElectrode surfaceCarbonyl ligandsHeterogeneous catalystsTuning rateSemiconductor electrodesGeneration spectroscopyInterfacial fieldSFG spectraCatalystVibrational spectraExperimental frequency shiftsDistinct Binding of Rhenium Catalysts on Nanostructured and Single-Crystalline TiO2 Surfaces Revealed by Two-Dimensional Sum Frequency Generation Spectroscopy
Vanselous H, Videla P, Batista V, Petersen P. Distinct Binding of Rhenium Catalysts on Nanostructured and Single-Crystalline TiO2 Surfaces Revealed by Two-Dimensional Sum Frequency Generation Spectroscopy. The Journal Of Physical Chemistry C 2018, 122: 26018-26031. DOI: 10.1021/acs.jpcc.8b08423.Peer-Reviewed Original ResearchTwo-dimensional sum frequency generation spectroscopySum frequency generation spectroscopyFrequency generation spectroscopyTiO2 surfaceGeneration spectroscopySingle-crystalline TiO2 surfacesCO2 reduction catalystsSelective catalytic performanceDifferent TiO2 surfacesVibrational relaxation pathwaysVibrational relaxation dynamicsAb initio simulationsComplex electronic structureMolecular catalystsCross-peak patternsReduction catalystSolvation environmentCatalytic performanceRhenium catalystsTiO2 electrodeCarbonyl modesCatalystInitio simulationsElectronic structureRelaxation pathwaysDopant-Dependent SFG Response of Rhenium CO2 Reduction Catalysts Chemisorbed on SrTiO3 (100) Single Crystals
Ge A, Videla P, Rudshteyn B, Liu Q, Batista V, Lian T. Dopant-Dependent SFG Response of Rhenium CO2 Reduction Catalysts Chemisorbed on SrTiO3 (100) Single Crystals. The Journal Of Physical Chemistry C 2018, 122: 13944-13952. DOI: 10.1021/acs.jpcc.8b01123.Peer-Reviewed Original ResearchDensity functional theorySFG responseVibrational sum frequency generation spectroscopySum frequency generation spectroscopyCO2 reduction catalystsFrequency generation spectroscopySrTiO3 single crystalsSTO surfaceReduction catalystDFT calculationsSFG resultsGeneration spectroscopySingle crystalsMolecular probesElectronic structureFunctional theoryCl atomsMetallic natureConduction bandSubstrateSurfaceCrystalsCatalystSpectroscopyFac
2016
Orientation of Cyano-Substituted Bipyridine Re(I) fac-Tricarbonyl Electrocatalysts Bound to Conducting Au Surfaces
Clark M, Rudshteyn B, Ge A, Chabolla S, Machan C, Psciuk B, Song J, Canzi G, Lian T, Batista V, Kubiak C. Orientation of Cyano-Substituted Bipyridine Re(I) fac-Tricarbonyl Electrocatalysts Bound to Conducting Au Surfaces. The Journal Of Physical Chemistry C 2016, 120: 1657-1665. DOI: 10.1021/acs.jpcc.5b10912.Peer-Reviewed Original ResearchSum frequency generation spectroscopyGold surfaceAu surfaceCO2 reduction catalystsFrequency generation spectroscopyReduction of CO2Density functional theoryMolecular catalystsReduction catalystBipyridine ligandsElectrochemical experimentsGeneration spectroscopyCatalytic turnoverSFG spectraElectrocatalystsFunctional theoryCatalystWeak bindingTheoretical methodsSurfaceBipyridineCatalysisSpectroscopyLigandsTriply
2012
Orientation of a Series of CO2 Reduction Catalysts on Single Crystal TiO2 Probed by Phase-Sensitive Vibrational Sum Frequency Generation Spectroscopy (PS-VSFG)
Anfuso C, Xiao D, Ricks A, Negre C, Batista V, Lian T. Orientation of a Series of CO2 Reduction Catalysts on Single Crystal TiO2 Probed by Phase-Sensitive Vibrational Sum Frequency Generation Spectroscopy (PS-VSFG). The Journal Of Physical Chemistry C 2012, 116: 24107-24114. DOI: 10.1021/jp307406j.Peer-Reviewed Original ResearchVibrational sum frequency generation spectroscopySum frequency generation spectroscopyCO2 reduction catalystsFrequency generation spectroscopyReduction catalystGeneration spectroscopyTiO2 semiconductor surfaceMolecular tilt angleSingle crystal surfacesAverage molecular orientationHeterogeneous electrocatalystsAnchoring groupOverall catalytic efficiencyElectrode surfaceRe centerΣ-bondMolecular linkersCO2 moleculesMolecular conformationMethylene groupMolecular orientationSuch complexesCatalytic efficiencyCatalystCrystal surface
2011
Covalent Attachment of a Rhenium Bipyridyl CO2 Reduction Catalyst to Rutile TiO2
Anfuso C, Snoeberger R, Ricks A, Liu W, Xiao D, Batista V, Lian T. Covalent Attachment of a Rhenium Bipyridyl CO2 Reduction Catalyst to Rutile TiO2. Journal Of The American Chemical Society 2011, 133: 6922-6925. PMID: 21504161, DOI: 10.1021/ja2013664.Peer-Reviewed Original ResearchSum frequency generation spectroscopyCO2 reduction catalystsDensity functional theory calculationsFrequency generation spectroscopyFunctional theory calculationsReduction catalystCarboxylate groupsGeneration spectroscopyTheory calculationsCovalent attachmentLinkage motifsCovalent bindingCatalystCatalysisMoietySpectroscopySurfaceTiO2Complexes