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
2016
Formate to Oxalate: A Crucial Step for the Conversion of Carbon Dioxide into Multi‐carbon Compounds
Lakkaraju P, Askerka M, Beyer H, Ryan C, Dobbins T, Bennett C, Kaczur J, Batista V. Formate to Oxalate: A Crucial Step for the Conversion of Carbon Dioxide into Multi‐carbon Compounds. ChemCatChem 2016, 8: 3453-3457. DOI: 10.1002/cctc.201600765.Peer-Reviewed Original ResearchMulti-carbon compoundsDensity functional theory calculationsSelective catalytic conversionIndustrial-scale synthesisFunctional theory calculationsChain reaction mechanismCatalytic performanceIon catalystAlkali formateIon catalysisConversion of formateBond formationCatalytic conversionQuantitative conversionIon intermediateReaction conditionsRaman spectroscopyTheory calculationsReaction mechanismCatalytic mechanismSodium hydrideOxalate saltsSodium formateFormateEfficient conversion
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 effect
2014
Electrochemical Reduction of Aqueous Imidazolium on Pt(111) by Proton Coupled Electron Transfer
Liao K, Askerka M, Zeitler E, Bocarsly A, Batista V. Electrochemical Reduction of Aqueous Imidazolium on Pt(111) by Proton Coupled Electron Transfer. Topics In Catalysis 2014, 58: 23-29. DOI: 10.1007/s11244-014-0340-2.Peer-Reviewed Original ResearchOne-electron shuttleElectron transferCO2 reductionReaction mechanismVoltammetric half-wave potentialAqueous CO2 reductionRecent electrochemical studiesOne-electron reductionHalf-wave potentialHydride transfer mechanismUnderlying reaction mechanismPotential of caAqueous ImidazoliumElectrochemical reductionMultielectron reductionElectrochemical studiesElectrochemical behaviorCathodic wavePt surfacePyridine solutionBrønsted acidsDFT studyFormic acidPyridiniumSuch reactions