https://ogma.newcastle.edu.au/vital/access/ /manager/Index en-au 5 https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:37126 Wed 19 Aug 2020 12:10:45 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:37282 cat⁻¹ h⁻¹ and a Faradaic efficiency as high as 8.3% at a low overpotential (0.05 V vs the reversible hydrogen electrode), which is far better than that of the bulk Ru counterpart. Moreover, the Ru SAs/g-C₃N₄ displays a high stability during five recycling tests and a 12 h potentiostatic test. Density functional theory calculations reveal that compared to bulk Ru surfaces, Ru SAs/g-C₃N₄ has more facile reaction thermodynamics, and the enhanced NRR performance of Ru SAs/g-C₃N₄ originates from a tuning of the d-electron energies from that of the bulk to a single-atom, causing an up-shift of the d-band center toward the Fermi level.]]> Tue 05 Sep 2023 11:57:42 AEST ]]> https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:39079 particle) on the physicochemical properties and the reactivity of S-nZVI remains unknown. Here, we synthesized S-nZVI via one co-sulfidation and three post-sulfidation methods to determine how different sulfur reagents and addition procedures affect the reactivity of S-nZVI for defluorination. The measured S amounts of co-sulfidized S-nZVI and post-sulfidized S-nZVI was much lower than their dose. Different sulfur reagents and sulfidation approach would affect the amount and speciation of sulfur in the particles. Sulfidation of nZVI improved the reactivity for dechlorination (up to 12-fold) and defluorination (up to 3-fold) of florfenicol (FF), but inhibited the reactivity with water (up to 31-fold). Density functional theory calculations showed that sulfidation increases the hydrophobicity of materials, and the amount and nature of sulfur affect the hydrophobicity and the number of blocked H sites. S-nZVI particles with more S^2- and S₂^2- species showed faster dechlorination and defluorination of FF. Up to ~ 45% of FF was defluorinated by S-nZVI after 15 days reaction at room temperature and pressure. The [S/Fe]_particle and Fe⁰ content was responsible for the initial and long-term defluorination, respectively. These results suggest that S-nZVI could be a promising agent for defluorination, and the sulfur reagents and sulfidation approach would affect its properties and reactivity.]]> Thu 05 May 2022 16:35:19 AEST ]]>