C

The photocatalytic efficiency of graphitic carbon nitride (g-C₃N₄) for the decomposition of aqueous rhodamine B (RhB) was investigated. To examine the combined effects of sonication and electron beam (EB) irradiation on the photocatalytic efficiency, g-C₃N₄ was sonicated in 1,3-butanediol and subsequently irradiated with EB. The photocatalytic efficiency was improved by the low-dose EB irradiation due to the generation of structural defects that acted as active reaction sites. Sonication before EB irradiation induced mild exfoliation and further improved photocatalytic efficiency. Prolonged sonication enhanced this improvement, primarily by increasing the specific surface area of g-C₃N₄. The positive effect of sonication was more remarkable for g-C₃N₄ irradiated with low-dose EB than for g-C₃N₄ irradiated with higher-dose EB. The photocatalytic RhB decomposition rate measured for g-C₃N₄ sonicated for 480 min and irradiated at 200 kGy was approximately 6.8 times higher than that measured for the untreated g-C₃N₄. The difference between the sonication effects can be ascribed to the electrostatic interactions and the resultant agglomeration of the g-C₃N₄ particles after EB irradiation. High-dose EB irradiation caused electrification followed by coarsening of the particles, whereas low-dose EB irradiation did not produce these results and led to positive effects due to the EB-induced g-C₃N₄ structural alteration.

Flow capacitive deionization (FCDI) technology holds significant promise for cost-effective and energy-efficient desalination; however, its practical application is hindered by limited electrode stability and desalination performance. In this study, we propose a novel composite strategy that combines chemical surface modification with surfactant-assisted dispersion to enhance electrode performance in FCDI systems. We observed that the dispersion stability and capacitance of the flow electrodes were significantly improved after oxidation (AC-O) or amination (AC-N) of activated carbon (AC). To further investigate the underlying ion adsorption mechanisms, we performed Density Functional Theory (DFT) simulations. The simulations revealed that oxidative modification (AC-O) enhances chloride ion adsorption through stronger electrostatic and van der Waals interactions, while amination (AC-N) is more effective for sodium ion adsorption. Subsequently, surfactants (sodium dodecyl sulfate, SDS; cetyltrimethylammonium bromide, CTAB) were used to prepare stable and high-performance flow electrodes. Electrochemical characterization and desalination tests in a 1000 mg·L⁻¹ saline solution demonstrated that the AC-O/SDS composite exhibited excellent dispersion stability (>7 d) and significantly enhanced conductivity and specific capacitance, increasing by factors of 2.48 and 2.50, respectively, compared to unmodified AC. This optimized electrode achieved a desalination efficiency of 74.37% and a desalination rate of 6.2542 mg·L⁻¹·min⁻¹, outperforming the unmodified electrode by a factor of 5.72. Our findings provide a robust, sustainable approach for fabricating advanced flow electrodes and offer valuable insights into electrode structure optimization, opening new possibilities for the application of FCDI technology in water treatment and material sciences.

We demonstrate that the energetic stability of carbon (5,6)-fullerene isomers can, to a large extent, be inferred from two topological invariants: the Kekulé count K and the Clar count C. Although neither invariant alone exhibits a strong correlation with the total electronic energy at equilibrium geometry, the application of a min–max principle (maximizing C while minimizing K) proves effective in identifying the lowest-energy subset of ${\mathrm{C}}_n$ isomers for $n=$ 50–100. This finding substantially reduces the complexity of determining the most stable isomer among larger fullerenes.