2022
Ultrafast Charge Relocation Dynamics in Enol–Keto Tautomerization Monitored with a Local Soft-X-ray Probe
Soley M, Videla P, Nibbering E, Batista V. Ultrafast Charge Relocation Dynamics in Enol–Keto Tautomerization Monitored with a Local Soft-X-ray Probe. The Journal Of Physical Chemistry Letters 2022, 13: 8254-8263. PMID: 36018775, PMCID: PMC9465716, DOI: 10.1021/acs.jpclett.2c02037.Peer-Reviewed Original ResearchConceptsSoft X-ray probeSoft X-ray spectroscopyFull quantum treatmentPump-probe spectroscopyUltrafast time scaleQuantum treatmentHydrogen fuel cellsNuclear dynamicsElectronic excitationEnol-keto tautomerizationPCET mechanismOxygen reductionInterplay of protonsFrontier orbitalsWater splittingCharge relocationElectron transferElectronic structure rearrangementLocal excitationTautomerization reactionImportant reactionsFuel cellsElementary stepsChemical reactionsH atoms
2012
Fuel selection for a regenerative organic fuel cell/flow battery: thermodynamic considerations
Araujo C, Simone D, Konezny S, Shim A, Crabtree R, Soloveichik G, Batista V. Fuel selection for a regenerative organic fuel cell/flow battery: thermodynamic considerations. Energy & Environmental Science 2012, 5: 9534-9542. DOI: 10.1039/c2ee22749e.Peer-Reviewed Original ResearchOpen circuit potentialTheoretical open circuit potentialHydrogen fuel cellsThermodynamic considerationsFlow batteriesDehydrogenation productsDehydrogenation reactionFuel cellsOrganic fuelsCircuit potentialOrganic carriersBattery systemEnergy densityHeterocyclicHydrogenationCarbocyclicBatteriesReactionHydrocarbonsFuel