2025
Photoelectrocatalytic reduction of CO2 to formate using immobilized molecular manganese catalysts on oxidized porous silicon
Hong Y, Jia X, Stewart-Jones E, Kumar A, Wedal J, Alvarez-Hernandez J, Donley C, Gang A, Gibson N, Hazari N, Houck M, Jeon S, Kim J, Koh H, Mayer J, Mercado B, Nedzbala H, Piekut N, Quist C, Stach E, Zhang Y. Photoelectrocatalytic reduction of CO2 to formate using immobilized molecular manganese catalysts on oxidized porous silicon. Chem 2025, 102462. DOI: 10.1016/j.chempr.2025.102462.Peer-Reviewed Original ResearchCO2 reduction to formateReduction to formateMolecular catalystsManganese complexesReduction of CO2 to formateReduction of carbon dioxideCO2 to formatePorous siliconBpy ligandsHybrid photoelectrodesManganese catalystsSilatrane groupSun illuminationCO2 reductionCatalystExcellent reproducibilitySemiconducting siliconCurrent densityPorous silicon waferOxidized porous siliconPhotoelectrodeManganeseSilatranesCarbon dioxidePhotoelectrocatalystsStatistical analysis of HAADF-STEM images to determine the surface coverage and distribution of immobilized molecular complexes
Jeon S, Nedzbala H, Huffman B, Pearce A, Donley C, Jia X, Bein G, Choi J, Durand N, Atallah H, Castellano F, Dempsey J, Mayer J, Hazari N, Stach E. Statistical analysis of HAADF-STEM images to determine the surface coverage and distribution of immobilized molecular complexes. Matter 2025, 8: 101919. DOI: 10.1016/j.matt.2024.11.013.Peer-Reviewed Original ResearchMolecular catalystsCatalytic systemSurface coverageImmobilization of molecular catalystsPositions of heavy atomsScanning transmission electron microscopyTransition metal complexesSurface immobilizationMetal complexesHeterogeneous catalysisHeavy atomsTransmission electron microscopyCombination of scanning transmission electron microscopyCatalystMolecular complexesSolid supportHAADF-STEM imagesElectron microscopyChemical mechanismCatalysisSurfaceAtomsComplexAttachment groupsConvolutional neural network
2024
Tailoring Interfaces for Enhanced Methanol Production from Photoelectrochemical CO2 Reduction
Shang B, Zhao F, Suo S, Gao Y, Sheehan C, Jeon S, Li J, Rooney C, Leitner O, Xiao L, Fan H, Elimelech M, Wang L, Meyer G, Stach E, Mallouk T, Lian T, Wang H. Tailoring Interfaces for Enhanced Methanol Production from Photoelectrochemical CO2 Reduction. Journal Of The American Chemical Society 2024, 146: 2267-2274. PMID: 38207288, DOI: 10.1021/jacs.3c13540.Peer-Reviewed Original ResearchFaradaic efficiencyReduction of CO<sub>2</sub>Conversion of CO<sub>2</sub>Accumulation of reaction intermediatesParasitic side reactionsPartial current densityOne-electron reductionCO2 reduction efficiencyEnhanced methanol productionCurrent densityElectrode surface areaThermodynamic driving forceMolecular catalystsPhotoelectrochemical conversionCatalyst loadingCatalyst surfaceSilicon photoelectrodesReaction intermediatesSide reactionsMicropillar array structureLight absorptionCarbon layerGaseous intermediatesSurface areaMethanol production
2023
(Invited) Water Oxidation Catalysis with Atomically Defined Active Sites on Nanostructured Materials for Solar Energy Applications
Brudvig G. (Invited) Water Oxidation Catalysis with Atomically Defined Active Sites on Nanostructured Materials for Solar Energy Applications. ECS Meeting Abstracts 2023, MA2023-01: 2149-2149. DOI: 10.1149/ma2023-01372149mtgabs.Peer-Reviewed Original ResearchWater oxidation catalystsMolecular catalystsSolar fuel productionWater oxidationMolecular water oxidation catalystsPhoto-electrochemical water oxidationWater oxidation catalysisNatural photosynthetic systemsPhotoelectrochemical water oxidationMetal oxide surfacesMetal oxide photoanodesFuel productionOxidation catalysisCatalytic performanceOxide photoanodesOxide surfaceNanostructured materialsBioinspired materialsCatalystLimited stabilityActive siteOxide materialsHigh activityPhotosynthetic systemsSolar energy applicationsBodipy and Dipyrrin as Unexpected Robust Anchoring Groups on TiO2 Nanoparticles
Jayworth J, Capobianco M, Liu H, Decavoli C, Crabtree R, Brudvig G. Bodipy and Dipyrrin as Unexpected Robust Anchoring Groups on TiO2 Nanoparticles. ECS Meeting Abstracts 2023, MA2023-01: 1410-1410. DOI: 10.1149/ma2023-01151410mtgabs.Peer-Reviewed Original ResearchTiO2 surfacePhoto-electrochemical water oxidationDye-sensitized solar cellsNatural photosynthetic systemsMetal oxide surfacesMetal oxide photoanodesCarboxylic acid groupsSolar fuel productionDipyrrin derivativesMolecular catalystsWater oxidationSynthetic stepsBF2 groupBODIPY chromophoreOxide photoanodesNitrogen atomsOxide surfaceSurface anchorAcid groupsMolecular complexesBioinspired materialsCovalent attachmentTiO2 nanoparticlesSurface bondsParent moleculeElectrocatalytic, Homogeneous Ammonia Oxidation in Water to Nitrate and Nitrite with a Copper Complex
Liu H, Lant H, Troiano J, Hu G, Mercado B, Crabtree R, Brudvig G. Electrocatalytic, Homogeneous Ammonia Oxidation in Water to Nitrate and Nitrite with a Copper Complex. ECS Meeting Abstracts 2023, MA2023-01: 2691-2691. DOI: 10.1149/ma2023-01552691mtgabs.Peer-Reviewed Original ResearchWater oxidationAmmonia oxidationO bond formationInitial mechanistic studiesMolecular catalystsCopper complexesMetal electrocatalystsFaradaic efficiencyAqueous mediaBond formationHigh selectivityOxidation processN2 productTitle reactionOxidationMechanistic studiesCatalysisComplexesRoom temperatureFriendly productionWaterElectrocatalystsElectrocatalyticNitrateCatalystElectrochemical Ammonia Oxidation with Molecular Catalysts
Liu H, Lant H, Cody C, Jelušić J, Crabtree R, Brudvig G. Electrochemical Ammonia Oxidation with Molecular Catalysts. ACS Catalysis 2023, 13: 4675-4682. DOI: 10.1021/acscatal.3c00032.Peer-Reviewed Original Research
2022
PM-IRRAS and DFT investigation of the surface orientation of new Ir piano-stool complexes attached to Au(111)
Miller C, Brunner F, Kelly H, Cheung P, Torquato N, Gembicky M, Okuno S, Chan T, Batista V, Kubiak C. PM-IRRAS and DFT investigation of the surface orientation of new Ir piano-stool complexes attached to Au(111). Dalton Transactions 2022, 51: 17688-17699. PMID: 36345597, DOI: 10.1039/d2dt02730e.Peer-Reviewed Original ResearchPiano-stool complexesPhenylpyridine ligandsPM-IRRASPolarization modulation infrared reflection absorption spectroscopyInfrared reflection absorption spectroscopySelf-assembled monolayersNew catalytic systemReflection absorption spectroscopyMinimum energy orientationMolecular catalystsOrganometallic catalystsCatalytic systemDFT calculationsSurface immobilizationDFT investigationAbsorption spectroscopyCatalystSurface mechanismBipyridineLigandsHeterogenous surfaceComplexesEnergy orientationSuch hybrid systemsSurface orientationReply To: Confined molecular catalysts provide an alternative interpretation to the electrochemically reversible demetallation of copper complexes
Weng Z, Wu Y, Wang M, Brudvig GW, Batista VS, Liang Y, Feng Z, Wang H. Reply To: Confined molecular catalysts provide an alternative interpretation to the electrochemically reversible demetallation of copper complexes. Nature Communications 2022, 13: 4191. PMID: 35869050, PMCID: PMC9307650, DOI: 10.1038/s41467-022-31662-0.Peer-Reviewed Original ResearchElectrocatalytic, Homogeneous Ammonia Oxidation in Water to Nitrate and Nitrite with a Copper Complex
Liu HY, Lant HMC, Troiano JL, Hu G, Mercado BQ, Crabtree RH, Brudvig GW. Electrocatalytic, Homogeneous Ammonia Oxidation in Water to Nitrate and Nitrite with a Copper Complex. Journal Of The American Chemical Society 2022, 144: 8449-8453. PMID: 35535858, DOI: 10.1021/jacs.2c01788.Peer-Reviewed Original Research
2020
Surface-Attached Molecular Catalysts on Visible-Light-Absorbing Semiconductors: Opportunities and Challenges for a Stable Hybrid Water-Splitting Photoanode
Liu H, Cody C, Jayworth J, Crabtree R, Brudvig G. Surface-Attached Molecular Catalysts on Visible-Light-Absorbing Semiconductors: Opportunities and Challenges for a Stable Hybrid Water-Splitting Photoanode. ACS Energy Letters 2020, 5: 3195-3202. DOI: 10.1021/acsenergylett.0c01719.Peer-Reviewed Original ResearchMolecular water oxidation catalystsWater splitting photoanodesSolar fuel generationWater oxidation catalystsHybrid photoanodeLong-term stabilityMolecular catalystsFuel generationCharacterization techniquesPhotoanodeStudy of degradationGreat promiseCell consistsCatalystPractical applicationsSemiconductorsDesign strategyStabilityCrucial subjectFuture directionsApplicationsPromiseDegradation
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 pathways
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
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