2021
Tuning the Conduction Band for Interfacial Electron Transfer: Dye-Sensitized Sn x Ti1–x O2 Photoanodes for Water Splitting
Spies J, Swierk J, Kelly H, Capobianco M, Regan K, Batista V, Brudvig G, Schmuttenmaer C. Tuning the Conduction Band for Interfacial Electron Transfer: Dye-Sensitized Sn x Ti1–x O2 Photoanodes for Water Splitting. ACS Applied Energy Materials 2021, 4: 4695-4703. DOI: 10.1021/acsaem.1c00305.Peer-Reviewed Original ResearchDFT calculationsAbsorption spectroscopyInterfacial electron transfer dynamicsUltrafast transient absorption spectroscopyInterfacial electron transferElectron transfer dynamicsUltrafast electron injectionConduction bandPeriodic DFT calculationsTransient absorption spectroscopyLinear absorption spectroscopyDye sensitizersWater splittingElectron transferTransfer dynamicsComposition of SnElectron acceptorAbsorption spectraElectron injectionD characterElectronic statesSpectroscopyPhotoanodeSnDye
2018
Unusual Stability of a Bacteriochlorin Electrocatalyst under Reductive Conditions. A Case Study on CO2 Conversion to CO
Jiang J, Matula A, Swierk J, Romano N, Wu Y, Batista V, Crabtree R, Lindsey J, Wang H, Brudvig G. Unusual Stability of a Bacteriochlorin Electrocatalyst under Reductive Conditions. A Case Study on CO2 Conversion to CO. ACS Catalysis 2018, 8: 10131-10136. DOI: 10.1021/acscatal.8b02991.Peer-Reviewed Original ResearchCO Faradaic efficiencyAg/AgClBulk electrolysisMA/cm2Organic ligandsFaradaic efficiencyReductive catalysisRobust electrocatalystsPorphyrin counterpartsDFT calculationsSevere stability issuesCO2 conversionCO2 reductionReductive conditionsUnusual stabilityCatalytic stepLigand degradationTotal current densityMolecular originCurrent densityElectrocatalystsCO2 fixationLigandsObserved stabilityBioinspired study
2017
Synthesis and Characterization of Iridium(V) Coordination Complexes With an N,O‐Donor Organic Ligand
Sharninghausen L, Sinha S, Shopov D, Mercado B, Balcells D, Brudvig G, Crabtree R. Synthesis and Characterization of Iridium(V) Coordination Complexes With an N,O‐Donor Organic Ligand. Angewandte Chemie 2017, 129: 13227-13231. DOI: 10.1002/ange.201707593.Peer-Reviewed Original ResearchCoordination complexesO-donor organic ligandsMononuclear coordination complexesO-donor environmentMetal-centered oxidationX-ray crystallographyOrganic ligandsDonor strengthAlkoxide groupsDFT calculationsD orbitalsUnprecedented stabilityComplexesLigandsOxidationIR-VIsomersXPSCrystallographyV complexSynthesisCharacterizationStabilityCalculationsDegradation