npj Clean Water · 2025 · 17 citations · 47 references
Natural SciencesMaterials EngineeringMaterials ScienceMagnetic MaterialsMaterials ChemistryNanomaterialsGraphene NanomaterialsNanocatalysisNanoenergy MaterialsPhotocatalysisPhotoelectrochemical MaterialsRedox-active MaterialsGraphene Quantum DotsOxygen VacanciesPhotocatalytic DegradationPhotocatalytic MaterialsPhotocatalytic OxidationSpin PolarizationTitanium Dioxide PhotocatalysisX-ray Absorption Spectroscopy
In this study, graphene quantum dots/titanium dioxide (GQDs/TiO 2 ) fiber membranes with engineered oxygen vacancies were fabricated using a combination of electrospinning and solvothermal techniques. Oxygen vacancies, as key active sites, enabled spin polarization during the photocatalytic reaction, and the material’s spin polarization was verified by X-ray Absorption Spectroscopy (XAS) and Density Functional Theory (DFT). For the first time, the effects of high magnetic fields (1000–5000 mT) on photocatalytic performance were systematically explored. The findings reveal that the magnetic field markedly enhances spin polarization, facilitating synergistic interactions between oxygen vacancies and photogenerated electrons while significantly suppressing carrier recombination. Under these conditions, the GQDs/TiO 2 fiber membranes achieved a remarkable 52.44% increase in the degradation rate of methylene blue compared to zero-field conditions. Additionally, the study introduces the concept of magnetic field-induced progressive energy level modulation, wherein defect state energy levels undergo gradual adjustment before stabilization under magnetic influence. This work provides critical insights into radical generation mechanisms driven by the interplay between magnetic fields and oxygen vacancies, offering a novel pathway for designing advanced photocatalysts with broad applications in water pollution treatment and sustainable energy solutions.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text