2024
BODIPY Chemisorbed on SnO2 and TiO2 Surfaces for Photoelectrochemical Applications
Jayworth J, Decavoli C, Capobianco M, Menzel J, Adler S, Kocoj C, Freeze J, Crabtree R, Guo P, Batista V, Brudvig G. BODIPY Chemisorbed on SnO2 and TiO2 Surfaces for Photoelectrochemical Applications. ACS Applied Materials & Interfaces 2024, 16: 14841-14851. PMID: 38488153, DOI: 10.1021/acsami.3c18827.Peer-Reviewed Original ResearchCarboxylic acid anchoring groupsAnchoring groupsElectron injectionSolar-driven water splittingTransient absorption spectroscopic studiesDye-sensitized photoelectrochemical cellsEfficiency of electron injectionSacrificial electron donorEfficient electron injectionElectron-hole recombinationAbsorption spectroscopic studiesBODIPY-based dyesWater splittingPhotoelectrochemical applicationsPhotoelectrochemical cellsSemiconducting photoelectrodesTiO2 surfacePhotoelectrochemical studiesPhotoexcited dyeSolar fuelsCharge transferMetal oxidesBinding modeCarboxylic acidsSpectroscopic studies
2016
Ferrocene‐Promoted Long‐Cycle Lithium–Sulfur Batteries
Mi Y, Liu W, Yang K, Jiang J, Fan Q, Weng Z, Zhong Y, Wu Z, Brudvig G, Batista V, Zhou H, Wang H. Ferrocene‐Promoted Long‐Cycle Lithium–Sulfur Batteries. Angewandte Chemie 2016, 128: 15038-15042. DOI: 10.1002/ange.201609147.Peer-Reviewed Original ResearchLithium polysulfidesEffective polysulfideCycling stabilityLong-cycle Li–S batteriesOrganometallic molecular compoundsSulfur cathode materialsSulfur electrode materialsLi-S batteriesLithium-sulfur batteriesLong‐Cycle LithiumMolecular-level interactionsCyclopentadienyl ligandSulfur batteriesElectrode materialsFerrocene moleculesCapacity decaySpectroscopic studiesMolecular compoundsSurface sitesCapacity fadePolysulfidesGraphene oxideFerroceneTheoretical calculationsBatteries
2012
Bioinspired High-Potential Porphyrin Photoanodes
Moore G, Konezny S, Song H, Milot R, Blakemore J, Lee M, Batista V, Schmuttenmaer C, Crabtree R, Brudvig G. Bioinspired High-Potential Porphyrin Photoanodes. The Journal Of Physical Chemistry C 2012, 116: 4892-4902. DOI: 10.1021/jp210096m.Peer-Reviewed Original ResearchPorphyrin radical cationRadical cationPhotoelectrochemical cellsReduction potentialDye-sensitized solar cellsElectrochemical reduction potentialsMetal oxide surfacesRedox coupleAppropriate energeticsElectron mediatorOxidation powerSpectroscopic studiesPhotoelectrochemical measurementsSnO2 nanoparticlesBare anodeVisible regionTerahertz spectroscopic studyReaction centersCationsSolar cellsPhotoanodeAnodeNatural counterpartsConduction bandSensitizers
1996
Nonadiabatic molecular dynamics simulation of photodissociation and geminate recombination of I2 liquid xenon
Batista V, Coker D. Nonadiabatic molecular dynamics simulation of photodissociation and geminate recombination of I2 liquid xenon. The Journal Of Chemical Physics 1996, 105: 4033-4054. DOI: 10.1063/1.472277.Peer-Reviewed Original ResearchGeminate recombinationLiquid xenonNonadiabatic molecular dynamics simulationsExcited-state electronic structureExcited B stateSpin-orbit couplingSolvent densityUltrafast spectroscopic studiesState electronic structureMolecular dynamics simulationsState predissociationDissociative channelsAvailable experimental dataHigh solvent densityElectronic statesB stateMicroscopic understandingMolecular dynamics methodSolvent collisionSpectroscopic studiesModel HamiltonianElectronic structureBond extensionPhase reactionDynamics simulations