2022
Sub-Nanometer Mapping of the Interfacial Electric Field Profile Using a Vibrational Stark Shift Ruler
Bhattacharyya D, Videla P, Palasz J, Tangen I, Meng J, Kubiak C, Batista V, Lian T. Sub-Nanometer Mapping of the Interfacial Electric Field Profile Using a Vibrational Stark Shift Ruler. Journal Of The American Chemical Society 2022, 144: 14330-14338. PMID: 35905473, DOI: 10.1021/jacs.2c05563.Peer-Reviewed Original ResearchConceptsSelf-assembled monolayersElectrode surfaceElectrode/electrolyte interfaceDensity functional theory simulationsDouble layerStern layer thicknessElectrical double layerInterfacial electric fieldElectric double layerMolecular electrocatalystsGold surfaceElectrolyte interfaceIsocyanide groupElectric field profileElectrochemical conditionsElectrochemical processesVibrational reporterElectrolyte penetrationElectrode interfaceElectrolyte environmentSpectroscopic methodsElectric field strengthReaction mechanismW centerCatalytic rate
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 shifts
2017
Mechanistic Insights into Surface Chemical Interactions between Lithium Polysulfides and Transition Metal Oxides
Zhong Y, Yang K, Liu W, He P, Batista V, Wang H. Mechanistic Insights into Surface Chemical Interactions between Lithium Polysulfides and Transition Metal Oxides. The Journal Of Physical Chemistry C 2017, 121: 14222-14227. DOI: 10.1021/acs.jpcc.7b04170.Peer-Reviewed Original ResearchLithium polysulfidesLi-S batteriesTransition metal oxidesMetal oxidesChemical interactionHigh-performance Li-S batteriesElectrode/electrolyte interfaceX-ray photoelectron spectroscopyElectrochemical energy storageDensity functional theory calculationsLi-O interactionsMetal–sulfur interactionsSurface chemical interactionsLi-ion batteriesFunctional theory calculationsOxides of MnSulfur cathodeElectrode surfaceDevelopment of materialsElectrolyte interfaceIon batteriesCycle lifePhotoelectron spectroscopyTheory calculationsBinding modes
2015
Isotopic Probe Illuminates the Role of the Electrode Surface in Proton Coupled Hydride Transfer Electrochemical Reduction of Pyridinium on Pt(111)
Zeitler E, Ertem M, Pander J, Yan Y, Batista V, Bocarsly A. Isotopic Probe Illuminates the Role of the Electrode Surface in Proton Coupled Hydride Transfer Electrochemical Reduction of Pyridinium on Pt(111). Journal Of The Electrochemical Society 2015, 162: h938-h944. DOI: 10.1149/2.0821514jes.Peer-Reviewed Original ResearchEquilibrium isotope effectPt surfacePyridinium reductionVoltammetric half-wave potentialElectrochemical CO2 reductionObserved redox potentialsOne-electron reductionHalf-wave potentialDeuterium substitutionPyridinium sitesElectrochemical reductionCyclic voltammogramsElectrode surfaceCathodic waveElectron transferPyridine solutionBrønsted acidsCO2 reductionRedox potentialIsotopic probesReaction mechanismPyridiniumIsotopic substitutionH atomsIsotope effectBehavior of the Ru-bda Water Oxidation Catalyst Covalently Anchored on Glassy Carbon Electrodes
Matheu R, Francàs L, Chernev P, Ertem M, Batista V, Haumann M, Sala X, Llobet A. Behavior of the Ru-bda Water Oxidation Catalyst Covalently Anchored on Glassy Carbon Electrodes. ACS Catalysis 2015, 5: 3422-3429. DOI: 10.1021/acscatal.5b00132.Peer-Reviewed Original ResearchWater oxidation catalystsX-ray absorption spectroscopyElectrode surfaceHybrid materialsGlassy carbonOxidation catalystHeterogeneous water oxidation catalystsGC electrode surfaceGlassy carbon electrodeRu-aqua complexesLow catalytic performanceOxidation of waterNew hybrid materialsGC electrodeElectrochemical reductionCarbon electrodeCovalent graftingActive catalystGood electrocatalystCatalytic performanceVoltammetric experimentsElectrochemical techniquesMetal oxidesAbsorption spectroscopyMolecular complexes
2014
Linker Rectifiers for Covalent Attachment of Transition‐Metal Catalysts to Metal‐Oxide Surfaces
Ding W, Negre CF, Palma JL, Durrell AC, Allen LJ, Young KJ, Milot RL, Schmuttenmaer CA, Brudvig GW, Crabtree RH, Batista VS. Linker Rectifiers for Covalent Attachment of Transition‐Metal Catalysts to Metal‐Oxide Surfaces. ChemPhysChem 2014, 15: 1138-1147. PMID: 24668518, DOI: 10.1002/cphc.201400063.Peer-Reviewed Original ResearchInterfacial electron transferElectron transferWater oxidation catalystsTransition metal catalystsElectron transfer propertiesBack electron transferMetal oxide surfacesElectron paramagnetic resonanceAcetylacetonate groupTerpyridyl groupsElectrode surfaceOxidation catalystMolecular linkersElectron reactionsAmide bondTiO2 surfaceParamagnetic resonanceCovalent attachmentAmide linkageTerahertz spectroscopic measurementsSpectroscopic measurementsElectron injectionTransfer propertiesLinkerCatalyst
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