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- ItemEffects of atomic layer deposited thin films on dye sensitized solar cell performance(American Vacuum Society, 2011-12-22) Campbell, JA; deBorniol, M; Mozer, AJ; Evans, PJ; Burford, RP; Triani, GThe application of thin titania films by atomic layer deposition on top of a low temperature nanoparticulate TiO2 electrode was found to enhance the performance of dye sensitized solar cells. Dynamic measurements of photoinduced charge extraction showed that the atomic layer deposited top coat increased the electron lifetime at the same electron density. This was attributed to an increased electron trap concentration, which resulted in slower charge transport and increased charge carrier lifetimes. © 2012 American Vacuum Society.
- ItemX–N charge density analysis of the hydrogen bonding motif in 1-(2-hydroxy-5-nitrophenyl)ethanone(Royal Society of Chemistry, 2003-03-03) Hibbs, DE; Overgaard, J; Piltz, ROThe total experimental charge density in 1-(2-hydroxy-5-nitrophenyl)ethanone (1) has been determined using high-resolution X-ray diffraction data in combination with neutron diffraction data measured at 100 K. Multipole refinement was carried out in terms of the rigid pseudoatom model. Multipole refinement converged at R = 0.026 for 5415 reflections with I > 2σ(I). Topological analysis of the total experimental charge density p(r) and its Laplacian, -∇2ρ(r) together with a comparison against high level theoretical gas-phase calculations reveals fine details of intra- intermolecular bonding features, in particular the extent of the π-delocalisation throughout the molecule. © Royal Society of Chemistry 2025.
- ItemA high‐entropy engineering on layered double hydroxide electrocatalyst with electronic structure reconstruction for ammonia synthesis(Wiley, 2025-06-01) Gao, XW; Li, SY; Ren, TZ; Wei, R; Wang, X; Gu, QF; Liu, ZM; Luo, WBHigh‐entropy electrocatalysts have garnered an increasing attention in electrocatalytic applications due to their outstanding redox reaction capabilities, as well as their selective and stable properties. The deliberate design of high‐entropy materials with high metallic vacancy concentrations and intrinsic strain features with an induced localized empty electronic state and charge redistribution at the bandgap level. A Al/Zn‐etched high‐entropy FeCoNiAlZnCu layered double hydroxide achieves a maximum ammonia Faradaic efficiency of 98.57% at −0.5 V with a production rate of 40.34 mg h−1 cm−2 for the nitrate reduction reaction. Furthermore, it exhibits a favorable oxygen evolution activity with an overpotential of 300 mV at 10 mA cm−2 and a Tafel slope of 92.5 mV dec−1. Combined with advanced spectroscopic techniques, it reveals that the local metallic vacancy defects can modulate catalytic active sites by stimulating electron accumulation and creating unsaturated coordination around the electrocatalytic sites. The synergistic interaction between the internal strain and electronic rearrangement can enhance intrinsic catalytic active sites, thus reducing absorbed energy barrier, boosting electron transfer kinetics, and stabilized intrinsic catalytic structure. © 1999-2025 John Wiley & Sons, Inc or related companies.
- ItemAssessing the ecological impacts of NORM-contaminated scale on marine infauna using sediment microcosms(Elsevier, 2023-11) MacIntosh, A; Dafforn, KA; Penrose, B; Chariton, AA; Cresswell, TNaturally occurring radioactive materials (NORMs) can be found in decommissioned oil and gas infrastructure (e.g. pipelines), including scales. The effects of NORM contaminants from offshore infrastructure on benthic macroorganisms remain poorly understood. To test the potential ecological effects of NORM-contaminated scale, we exposed a marine amphipod, a clam and a polychaete to marine sediments spiked with low level concentrations of barium sulfate scale retrieved from a decommissioned subsea pipe. Only amphipods were included in further analysis due to treatment mortalities of the clam and polychaete. Barium (Ba) and copper (Cu) were elevated in the seawater overlying the spiked sediments, although no sediment metals exceeded guidelines. 210Po was the only NORM detected in the overlying waters while both 210Po and 226Ra were significantly elevated in the scale-contaminated sediments when compared with the control sediments. The whole-body burden of Ba and 226Ra were significantly higher in the scale-exposed amphipods. Using experiment- and scale-specific parameters in biota dose assessments suggested potential dose rates may elicit individual and population level effects. Future work is needed to assess the biological impacts and effects of NORM scale at elevated levels above background concentrations and the accumulation of NORM-associated contaminants by marine organisms. © 2023 The Authors. Published by Elsevier Ltd. Open Access Creative Commons CC-BY-NC-ND
- ItemRegulating the coordination environment of mesopore‐confined single atoms from metalloprotein‐MOFs for highly efficient biocatalysis (Adv. Mater. 44/2022)(Wiley, 2022-11-03) Liang, JY; Johannessen, B; Wu, ZB; Webster, RF; Yong, J; Bin Zulkifli, MY; Harbort, JS; Cheok, YR; Wen, H; Ao, ZM; Kong, B; Chang, SLY; Scott, J; Liang, KSingle-Atom Catalysts In article number 2205674, Kang Liang and co-workers develop a generalized strategy to construct highly active ferric-centered single-atom catalysts via a biomineralization strategy that enables the homogeneous encapsulation of metalloproteins within metal-organic frameworks followed by pyrolysis. The enhanced activity of the obtained catalysts benefits from the highly dispersed atoms, the mesopores, and the regulated coordination environment of the single-atom active sites induced by the metalloproteins. © 2022 Wiley-VCH GmbH. This is the front cover of the journal.