2024
Mutation-induced shift of the photosystem II active site reveals insight into conserved water channels
Flesher D, Liu J, Wang J, Gisriel C, Yang K, Batista V, Debus R, Brudvig G. Mutation-induced shift of the photosystem II active site reveals insight into conserved water channels. Journal Of Biological Chemistry 2024, 300: 107475. PMID: 38879008, PMCID: PMC11294709, DOI: 10.1016/j.jbc.2024.107475.Peer-Reviewed Original ResearchOxygen-evolving complexPhotosystem II active sitePhotosystem IIJahn-Teller distortionPhotosystem II complexD1-Asp170Jahn-TellerResolution cryo-EM structureMutation-induced structural changesCryo-EM structureMagnetic propertiesD1 subunitActive siteOxygenic photosynthesisMutagenesis studiesLight-driven water oxidationSpectroscopic propertiesStructural basisSpectroscopic dataAmino acidsWater oxidation mechanismPhotosystemMutationsMutation-induced shiftWater oxidation
2021
Observation of a potential-dependent switch of water-oxidation mechanism on Co-oxide-based catalysts
Lang C, Li J, Yang K, Wang Y, He D, Thorne J, Croslow S, Dong Q, Zhao Y, Prostko G, Brudvig G, Batista V, Waegele M, Wang D. Observation of a potential-dependent switch of water-oxidation mechanism on Co-oxide-based catalysts. Chem 2021, 7: 2101-2117. DOI: 10.1016/j.chempr.2021.03.015.Peer-Reviewed Original ResearchWater oxidation mechanismWater oxidation reactionWater nucleophilic attack mechanismCo-based catalystsO bond formationNucleophilic attack mechanismKey elementary stepsHeterogeneous catalystsSalt electrolyteElectrode potentialApplied potentialBond formationLow driving forceO couplingElementary stepsMechanistic switchCatalystHigh driving forceDriving forceReactionAttack mechanismWater activityElectrolyteHereinPotential
2015
Photoinduced Water Oxidation at the Aqueous GaN (101̅0) Interface: Deprotonation Kinetics of the First Proton-Coupled Electron-Transfer Step
Ertem M, Kharche N, Batista V, Hybertsen M, Tully J, Muckerman J. Photoinduced Water Oxidation at the Aqueous GaN (101̅0) Interface: Deprotonation Kinetics of the First Proton-Coupled Electron-Transfer Step. ACS Catalysis 2015, 5: 2317-2323. DOI: 10.1021/acscatal.5b00054.Peer-Reviewed Original ResearchWater oxidation mechanismElectron transfer stepWater oxidationProton transferFree energy changeElectron transferProton-coupled electron transfer stepsOxidation mechanismOverall water splitting reactionAb initio molecular dynamicsPhotoinduced water oxidationHydrogen bonding interactionsRadical ion intermediatesFirst solvation shellWater splitting reactionInitio molecular dynamicsPhotoelectrochemical water splittingCluster model approachPCET stepsProton reductionBonding interactionsSplitting reactionWater dissociationHydrogen bondingSolvation shell