2024
Breaking a Molecular Scaling Relationship Using an Iron–Iron Fused Porphyrin Electrocatalyst for Oxygen Reduction
Nishiori D, Menzel J, Armada N, Cruz E, Nannenga B, Batista V, Moore G. Breaking a Molecular Scaling Relationship Using an Iron–Iron Fused Porphyrin Electrocatalyst for Oxygen Reduction. Journal Of The American Chemical Society 2024, 146: 11622-11633. PMID: 38639470, DOI: 10.1021/jacs.3c08586.Peer-Reviewed Original ResearchOxygen reduction reactionBinuclear catalystsElectrophilic characterDesign of efficient electrocatalystsCatalytic turnover frequencySynthetic design strategiesMacrocyclic ligandCoordination sphereLigand designTurnover frequencyElectronic conjugationEfficient electrocatalystsReduction reactionOxygen reductionMolecular scaffoldsCatalystCatalytic centerIron-ironCharged sitesElectrocatalystsElectrocatalysisLigandBioinspired applicationsDesign strategyScaling relationships
2018
Water-Nucleophilic Attack Mechanism for the CuII(pyalk)2 Water-Oxidation Catalyst
Rudshteyn B, Fisher K, Lant H, Yang K, Mercado B, Brudvig G, Crabtree R, Batista V. Water-Nucleophilic Attack Mechanism for the CuII(pyalk)2 Water-Oxidation Catalyst. ACS Catalysis 2018, 8: 7952-7960. DOI: 10.1021/acscatal.8b02466.Peer-Reviewed Original ResearchKinetic isotope effectsWater nucleophilic attack mechanismWater oxidation catalystsWater nucleophilic attackD Kinetic Isotope EffectO bond formationUV-visible spectraDensity functional theoryElectrochemical stepWater oxidationElectrochemical analysisTurnover frequencyDerivative complexesBond formationRadical speciesRational designCis formFunctional theoryIsotope effectRate-limiting stepCatalystComplexesAttack mechanismMechanistic findingsDeprotonation
2016
Heterogenized Iridium Water-Oxidation Catalyst from a Silatrane Precursor
Materna K, Rudshteyn B, Brennan B, Kane M, Bloomfield A, Huang D, Shopov D, Batista V, Crabtree R, Brudvig G. Heterogenized Iridium Water-Oxidation Catalyst from a Silatrane Precursor. ACS Catalysis 2016, 6: 5371-5377. DOI: 10.1021/acscatal.6b01101.Peer-Reviewed Original ResearchIridium Water Oxidation CatalystsMetal oxide semiconductor surfacesWater oxidation catalystsExperimental IR spectraOxide semiconductor surfaceWater oxidationHeterogenized catalystTurnover frequencyIR spectraSilatrane precursorCovalent attachmentFunctional groupsTurnover numberM KNO3CatalystSemiconductor surfacesPrecatalystOverpotentialCatalysisComputational modelingOxidationPrecursorsKNO3SpectraSurface
2013
A Self‐Improved Water‐Oxidation Catalyst: Is One Site Really Enough?
López I, Ertem M, Maji S, Benet‐Buchholz J, Keidel A, Kuhlmann U, Hildebrandt P, Cramer C, Batista V, Llobet A. A Self‐Improved Water‐Oxidation Catalyst: Is One Site Really Enough? Angewandte Chemie International Edition 2013, 53: 205-209. PMID: 24259487, DOI: 10.1002/anie.201307509.Peer-Reviewed Original ResearchWater oxidation catalystsRobust water oxidation catalystsTransition metal complexesLarge turnover frequencyDFT computational analysisInterconnected catalytic cyclesMononuclear catalystsHomogeneous catalysisWater oxidationRobust catalystsTurnover frequencyEnergy conversion schemeCatalytic processCatalytic cycleMononuclear systemsCatalystDinuclear systemCatalysisComputational analysisOxidationSpectacular developmentHereinComplexesA Self‐Improved Water‐Oxidation Catalyst: Is One Site Really Enough?
López I, Ertem M, Maji S, Benet‐Buchholz J, Keidel A, Kuhlmann U, Hildebrandt P, Cramer C, Batista V, Llobet A. A Self‐Improved Water‐Oxidation Catalyst: Is One Site Really Enough? Angewandte Chemie 2013, 126: 209-213. DOI: 10.1002/ange.201307509.Peer-Reviewed Original ResearchWater oxidation catalystsRobust water oxidation catalystsTransition metal complexesLarge turnover frequencyDFT computational analysisInterconnected catalytic cyclesMononuclear catalystsHomogeneous catalysisWater oxidationRobust catalystsTurnover frequencyEnergy conversion schemeCatalytic processCatalytic cycleMononuclear systemsCatalystDinuclear systemCatalysisComputational analysisOxidationSpectacular developmentHereinComplexes