2009
Synergistic effect between anatase and rutile TiO 2 nanoparticles in dye -sensitized solar cells
Li G, Richter CP, Milot RL, Cai L, Schmuttenmaer CA, Crabtree RH, Brudvig GW, Batista VS. Synergistic effect between anatase and rutile TiO 2 nanoparticles in dye -sensitized solar cells. Dalton Transactions 2009, 0: 10078-10085. PMID: 19904436, DOI: 10.1039/b908686b.Peer-Reviewed Original ResearchDye-sensitized solar cellsAnatase nanoparticlesOverall solar conversion efficiencyPowder X-ray diffractionSynergistic effectInterfacial electron transferSolar cellsTiO 2 nanoparticlesAddition of rutileX-ray diffractionSolar conversion efficiencyPhoto-excited electronsTime-resolved terahertz spectroscopyElectron transferScanning electron microscopyDSSC efficiencyOrganic contaminantsHeterogeneous photocatalysisLight harvestingPhotocatalytic activityRutile nanoparticlesTiCl4 treatmentNanoparticlesTiO2 nanocompositesAnatase
2008
Computational insights into the O2-evolving complex of photosystem II
Sproviero EM, McEvoy JP, Gascón JA, Brudvig GW, Batista VS. Computational insights into the O2-evolving complex of photosystem II. Photosynthesis Research 2008, 97: 91-114. PMID: 18483777, PMCID: PMC2728911, DOI: 10.1007/s11120-008-9307-0.Peer-Reviewed Original ResearchConceptsOxygen-evolving complexX-ray diffractionQuantum mechanics/molecular mechanics (QM/MM) hybrid methodsPhotosystem IIMass spectrometryX-ray absorption fine structure spectroscopyExtended X-ray absorption fine structure (EXAFS) spectroscopyQM/MM modelingElectron paramagnetic resonance spectroscopyAbsorption fine structure spectroscopyCatalytic metal clustersWater splitting reactionIntermediate oxidation statesParamagnetic resonance spectroscopyFine structure spectroscopyO2-evolving complexDensity functional theoryInorganic coreMM modelingOxidation stateMetal clustersStructure spectroscopyOEC structureCrystallographic resultsComputational insights