2023
The landscape of computational approaches for artificial photosynthesis
Yang K, Kyro G, Batista V. The landscape of computational approaches for artificial photosynthesis. Nature Computational Science 2023, 3: 504-513. PMID: 38177419, DOI: 10.1038/s43588-023-00450-1.Peer-Reviewed Original Research
2019
Effect of Electronic Coupling on Electron Transfer Rates from Photoexcited Naphthalenediimide Radical Anion to Re(bpy)(CO)3X
Martinez J, La Porte N, Chaudhuri S, Sinopoli A, Bae Y, Sohail M, Batista V, Wasielewski M. Effect of Electronic Coupling on Electron Transfer Rates from Photoexcited Naphthalenediimide Radical Anion to Re(bpy)(CO)3X. The Journal Of Physical Chemistry C 2019, 123: 10178-10190. DOI: 10.1021/acs.jpcc.8b12264.Peer-Reviewed Original ResearchNaphthalenediimide radical anionElectron transfer rateElectronic couplingRadical anionX-ray structural studiesAppropriate reference moleculesReaction free energyPhotocatalytic CO2 reductionFree energy changeArtificial photosynthesisNDI chromophoresElectron transferMid-IR spectroscopyCatalyst resultsUV/Constitutional isomersPhotocatalytic reductionCO2 reductionReference moleculeStructural studiesFree energyEnergy changeFirst intermediateAnionsTransfer rate
2018
High-Energy Charge-Separated States by Reductive Electron Transfer Followed by Electron Shift in the Tetraphenylethylene–Aluminum(III) Porphyrin–Fullerene Triad
Zarrabi N, Agatemor C, Lim G, Matula A, Bayard B, Batista V, D’Souza F, Poddutoori P. High-Energy Charge-Separated States by Reductive Electron Transfer Followed by Electron Shift in the Tetraphenylethylene–Aluminum(III) Porphyrin–Fullerene Triad. The Journal Of Physical Chemistry C 2018, 123: 131-143. DOI: 10.1021/acs.jpcc.8b09500.Peer-Reviewed Original ResearchCharge-separated stateCharge separationTime-resolved spectroscopic techniquesReductive electron transferCharge separated statesExcited-state propertiesReference dyadsExcited singlet stateTetraphenylethylene unitsArtificial photosynthesisSupramolecular triadElectron transferSpectroscopic techniquesCovalent bondsPorphyrin planeTetraphenylethyleneElectron migrationPhotochemical reactionsChemical energyElectron shiftSinglet stateAlPorFullerenesPorphyrinsSeparation
2012
Oxomanganese complexes for natural and artificial photosynthesis
Rivalta I, Brudvig GW, Batista VS. Oxomanganese complexes for natural and artificial photosynthesis. Current Opinion In Chemical Biology 2012, 16: 11-18. PMID: 22481113, PMCID: PMC3335890, DOI: 10.1016/j.cbpa.2012.03.003.Peer-Reviewed Original ResearchConceptsOxygen-evolving complexOxomanganese complexesArtificial photosynthesisQuantum mechanics/molecular mechanics (QM/MM) hybrid methodsArtificial photosynthetic devicesVisible-light photoexcitationInterfacial electron transferRecent X-ray dataX-ray crystallographyPhotosystem IIPhotosynthetic devicesMn catalystStructure/function relationsX-ray dataCarboxylate moietyElectron transferProton abstractionMn centersChromophoric linkersElectrostatic interactionsOEC structureCovalent attachmentS1 stateOxygen evolutionInexpensive materials