2023
Ligand Tuning in Cu(pyalk)2 Water Oxidation Electrocatalysis
Cody C, Caes Z, Capobianco M, Mercado B, Crabtree R, Brudvig G. Ligand Tuning in Cu(pyalk)2 Water Oxidation Electrocatalysis. Inorganics 2023, 11: 229. DOI: 10.3390/inorganics11060229.Peer-Reviewed Original ResearchWater oxidationWater oxidation electrocatalysisAnalogous copper complexesWater oxidation electrocatalystsArtificial photosynthetic systemsElectron-donating groupsSolar energy conversionPyalk ligandCatalyst tuningLigand tuningOxidation electrocatalystsCopper complexesFaradaic efficiencyLigand modificationCatalytic propertiesLigand formsAttractive scaffoldFirst-principles predictionPara positionGood activityMolecular systemsPhotosynthetic systemsEnergy conversionComplexesOxidation
2022
Revealing the Structure of Single Cobalt Sites in Carbon Nitride for Photocatalytic CO2 Reduction
Huang P, Huang J, Li J, Pham T, Zhang L, He J, Brudvig G, Deskins N, Frenkel A, Li G. Revealing the Structure of Single Cobalt Sites in Carbon Nitride for Photocatalytic CO2 Reduction. The Journal Of Physical Chemistry C 2022, 126: 8596-8604. DOI: 10.1021/acs.jpcc.2c01216.Peer-Reviewed Original ResearchPhotocatalytic CO2 reductionSingle CO2CO2 reductionCarbon nitrideX-ray absorption spectroscopyCo-N bond lengthsImproved catalytic propertiesSingle Cobalt SitesMode of coordinationMore edge sitesGraphitic carbon nitrideObserved enhancement effectMetal centerCatalytic propertiesC3N4 materialsAbsorption spectroscopyBond lengthsSpectroscopic toolsPhotocatalytic propertiesExcellent activityCobalt sitesEdge sitesC3N4 flakesBinding energiesLight absorption
2017
Antimony Complexes for Electrocatalysis: Activity of a Main‐Group Element in Proton Reduction
Jiang J, Materna K, Hedström S, Yang K, Crabtree R, Batista V, Brudvig G. Antimony Complexes for Electrocatalysis: Activity of a Main‐Group Element in Proton Reduction. Angewandte Chemie 2017, 129: 9239-9243. DOI: 10.1002/ange.201704700.Peer-Reviewed Original ResearchMain group catalysisRedox-active ligandsMain group complexesQuantum chemistry calculationsMain group elementsViable electrocatalystsPorphyrin ligandChemistry calculationsHydroxy ligandsElectrocatalysis applicationsProton reductionCatalytic propertiesAntimony complexesRedox activityAxial ligandsCatalytic cycleSb centerLigandsCatalysisComplexesElectrocatalysisElectrocatalystsPorphyrinsReactionAcid