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
2017
Interfacial Structure and Electric Field Probed by in Situ Electrochemical Vibrational Stark Effect Spectroscopy and Computational Modeling
Ge A, Videla P, Lee G, Rudshteyn B, Song J, Kubiak C, Batista V, Lian T. Interfacial Structure and Electric Field Probed by in Situ Electrochemical Vibrational Stark Effect Spectroscopy and Computational Modeling. The Journal Of Physical Chemistry C 2017, 121: 18674-18682. DOI: 10.1021/acs.jpcc.7b05563.Peer-Reviewed Original ResearchSelf-assembled monolayersElectrolyte interfaceMolecular dynamics simulationsHelmholtz layerElectrochemical double-layer structureVibrational Stark effect spectroscopyElectrode/electrolyte interfaceVibrational sum frequency generation spectroscopySum frequency generation spectroscopyDensity functional theory calculationsDynamics simulationsAqueous electrolyte interfaceDirect spectroscopic methodFrequency generation spectroscopyStark tuning rateInterfacial structureFunctional theory calculationsStark effect spectroscopySolar energy conversionInterfacial electric fieldDetailed molecular levelElectrochemical interfaceModel complexesDouble-layer structureElectrolyte penetrationMechanistic 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