The discovery of stable two-dimensional (2D) semiconductors with exotic electronic properties is crucial to the future electronic technologies. Using the first-principles calculations, we predict the monolayered Silicon- and Germanium-monopnictides as a new class of semiconductors owning excellent dynamical and thermal stabilities, prominent anisotropy, and high possibility of experimental exfoliation. These semiconductors, including the monolayered SiP, SiAs, GeP, and GeAs, possess wide bandgaps of 2.08-2.64 eV obtained by hybrid functional calculation. Under small uniaxial strains (-2 to 3%), dramatic modulations of their band structures are observed, and furthermore, all the 2D monolayers (MLs) can be transformed between indirect and direct semiconductors. The monolayered GeAs and SiP exhibits extraordinary optical absorption in the range of visible and ultraviolet (UV) light spectra, respectively. The exfoliation energies of these monolayers are comparable to graphene, implying a strong probability of successful fabrication by mechanical exfoliation. These intriguing properties of the monolayered silicon- and germanium-monopnictides, combined with their highly stable structures, offer tremendous opportunities for electronic and optoelectronic devices working under UV-visible spectrum.
U(VI) adsorption on aerosol-synthesized hematite particles ranging in size from 12 to 125 nm was studied to explore nanoscale size effects on uranium adsorption. Adsorption on 70 nm aqueous-synthesized particles was also investigated to examine the effect of the synthesis method on reactivity. Equilibrium adsorption was measured over pH 3-11 at two U(VI) loadings. Surface complexation modeling, combined with adjustment of adsorption equilibrium constants to be independent of site density and surface area, provided a quantitative reaction-based framework for evaluating adsorption affinity and capacity. Among the aerosol-synthesized particles, the adsorption affinity decreased as the particle size increased from 12 to 125 nm with similar intermediate affinities for 30 and 50 nm particles. X-ray absorption fine structure spectroscopy measurements suggest that the differences in adsorption affinity and capacity are not the result of substantially different coordination environments of adsorbed U(VI).
Individual and competitive adsorption of arsenate and phosphate were studied on a high-surface-area Fe/Mn-(hydr)oxide sorbent with surface and bulk properties similar to those of two-line ferrihydrite. It has maximum adsorption densities of 0.42 micromol As m(-2) at neutral pH and 1.24 micromol As m(-2) at pH 3. A surface complexation model (SCM) that used the diffuse double layer model was developed that could simulate single and binary sorbate adsorption over pH 4-9. The predominant adsorbed arsenate and phosphate species were modeled as bidentate binuclear surface complexes at low pH and as monodentate complexes at high pH. The model initially overpredicted the inhibition of arsenate adsorption by the presence of phosphate. The overprediction was resolved by separating surface sites into two types: ones to which both arsenate and phosphate bind and a smaller number to which only phosphate binds. The modified model predicted the competitive adsorption of arsenate and phosphate over pH 4-9 at total As concentrations of 6.67 and 80.1 microM and a total P concentration of 129 and 323 microM. The model may be used to predict arsenic adsorption to the sorbent for a given water source based on solution chemistry.
Searching for new van der Waals (vdW) heterostructure with novel electronic and optical properties is of great interest and importance for the next generation of devices. By using first-principles calculations, we show that the electronic and optical properties of the arsenene/CN vdW heterostructure can be effectively modulated by applying vertical strain and external electric field. Our results suggest that this heterostructure has an intrinsic type-II band alignment with an indirect bandgap of 0.16 eV, facilitating the separation of photogenerated electron-hole pairs. The bandgap in the heterostructure can be tuned from 0-0.35 eV via the strain, experiencing an indirect-to-direct bandgap transition. Moreover, the bandgap of the heterostructure varies linearly with respect to a moderate external electric field, and the semiconductor-to-metal transition can be realized in the presence of a strong electric field. The calculated band alignment and the optical absorption reveal that the arsenene/CN heterostructure could present excellent light-harvesting performance. Our designed vdW heterostructure is expected to have great potential applications in nanoelectronic devices and photovoltaics.
The capture of sustainable energy from a salinity gradient, in particular, using renewable biomass-derived functional materials, has attracted significant attention. In order to convert osmotic energy to electricity, many membrane materials with nanofluidic channels have been developed. However, the high cost, complex preparation process, and low output power density still restrict the practical application of traditional membranes. Herein, we report the synthesis of highly flexible and mechanically robust nanofiber-arrays-based carbonaceous ordered mesoporous nanowires (CMWs) through a simple and straightforward softtemplating hydrothermal carbonization approach. This sequential superassembly strategy shows a high yield and great versatility in controlling the dimensions of CMWs with the aspect ratio changes from about 3 to 39. Furthermore, these CMWs can be used as novel building blocks to construct functional hybrid membranes on macroporous alumina. This nanofluidic membrane with asymmetric geometry and charge polarity exhibits low resistance and highperformance energy conversion. This work opens a solution-based route for the one-pot preparation of CMWs and functional heterostructure membranes for various applications.
Hydrogen evolution reaction (HER)
through water splitting is a
potential technology to realize the sustainable production of hydrogen,
yet the tardy water dissociation and costly Pt-based catalysts inhibit
its development. Here, a trapping–bonding strategy is proposed
to realize the superassembly of surface-enriched Ru nanoclusters on
a phytic acid modified nitrogen-doped carbon framework (denoted as
NCPO-Ru NCs). The modified framework has a high affinity to metal
cations and can trap plenty of Ru ions. The trapped Ru ions are mainly
distributed on the surface of the framework and can form Ru nanoclusters
at 50 °C with the synergistic effect of vacancies and phosphate
groups. By adjusting the content of phytic acid, surface-enriched
Ru nanoclusters with adjustable distribution and densities can be
obtained. Benefiting from the adequate exposure of the active sites
and dense distribution of ultrasmall Ru nanoclusters, the obtained
NCPO-Ru NCs catalyst can effectively drive HER in alkaline electrolytes
and show an activity (at overpotential of 50 mV) about 14.3 and 9.6
times higher than that of commercial Ru/C and Pt/C catalysts, respectively. Furthermore, the great performance in solar to hydrogen generation
through water splitting provides more flexibility for wide applications
of NCPO-Ru NCs.
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