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The Journal of Physical Chemistry. A Jun 2024Inorganic molecular crystal (IMC) is a trending class of materials in which structural units comprise molecular cages or clusters bonded via van der Waal forces. The...
Inorganic molecular crystal (IMC) is a trending class of materials in which structural units comprise molecular cages or clusters bonded via van der Waal forces. The structure-property relationship in IMCs is less known due to the unusual assembly of molecular clusters in these materials. In this paper, the density functional theory-calculated electronic transport properties of the molecular clusters of antimony oxide (SbO), phosphorus triselenide (PSe), and phosphorus trioxide (PO) are described in detail. The calculated values of highest occupied molecular orbital-lowest unoccupied molecular orbital gaps appeared as 5.487, 2.296, and 4.425 eV for SbO, PSe, and PO, respectively. The work was carried out to explore the charge transport mechanism in IMCs in order to disclose their potential in practical applications. The calculations involved charge-transfer integral based on Marcus theory to compute the electronic coupling (), reorganization energies (λ), and hopping rate () in the structures. The hopping rate for SbO, PSe, and PO is found as 8.49 × 10, 1.28 × 10, and 2.51 × 10 s, respectively. The transport properties of SbO are found better, which predicts the application of the relevant IMC for device grade applications. The findings of this study are important for future application of the IMCs in electronic and optoelectronic applications.
PubMed: 38857364
DOI: 10.1021/acs.jpca.4c02757 -
Frontiers in Microbiology 2024Mining activities, even in arctic regions, create waste materials releasing metals and metalloids, which have an impact on the microorganisms inhabiting their...
Assessment of microbial communities from cold mine environments and subsequent enrichment, isolation and characterization of putative antimony- or copper-metabolizing microorganisms.
Mining activities, even in arctic regions, create waste materials releasing metals and metalloids, which have an impact on the microorganisms inhabiting their surroundings. Some species can persist in these areas through tolerance to meta(loid)s via, e.g., metabolic transformations. Due to the interaction between microorganisms and meta(loid)s, interest in the investigation of microbial communities and their possible applications (like bioremediation or biomining) has increased. The main goal of the present study was to identify, isolate, and characterize microorganisms, from subarctic mine sites, tolerant to the metalloid antimony (Sb) and the metal copper (Cu). During both summer and winter, samples were collected from Finnish mine sites (site A and B, tailings, and site C, a water-treatment peatland) and environmental parameters were assessed. Microorganisms tolerant to Sb and Cu were successfully enriched under low temperatures (4°C), creating conditions that promoted the growth of aerobic and fermenting metal(loid) tolerating or anaerobic metal(loid) respiring organism. Microbial communities from the environment and Sb/Cu-enriched microorganisms were studied via 16S rRNA amplicon sequencing. Site C had the highest number of taxa and for all sites, an expected loss of biodiversity occurred when enriching the samples, with genera like or increasing their relative abundances and others like or reducing in relative abundance. From enrichments, 65 putative Sb- and Cu-metabolizing microorganisms were isolated, showing growth at 0.1 mM to 10 mM concentrations and 0°C to 40°C temperatures. 16S rRNA gene sequencing of the isolates indicated that most of the putative anaerobically Sb-respiring tolerators were related to the genus . This study represents the first isolation, to our knowledge, of putative Sb-metabolizing cold-tolerant microorganisms and contributes to the understanding of metal (loid)-tolerant microbial communities in Arctic mine sites.
PubMed: 38855773
DOI: 10.3389/fmicb.2024.1386120 -
ACS Applied Materials & Interfaces Jun 2024Multifunctional photodetectors (PDs) with broadband responsivity () and specific detectivity (*) at low light intensities are gaining significant attention. Thus, we...
Multifunctional photodetectors (PDs) with broadband responsivity () and specific detectivity (*) at low light intensities are gaining significant attention. Thus, we report a bilayer PD creatively fabricated by layering two-dimensional (2D) SbSe nanoflakes (NFs) on one-dimensional (1D) ZnO nanorods (NRs) using simple thermal transfer and hydrothermal processes. The unique coupling of these two layers of materials in a nanostructured form, such as 2D-SbSe NFs/1D-ZnO NRs, provides an effective large surface area, robust charge transport paths, and light-trapping effects that enhance light harvesting. Furthermore, the combination of both layers can effectively facilitate photoactivity owing to proper band alignment. The as-fabricated device demonstrated superior overall performance in terms of a suitable bandwidth, good , and high * under low-intensity light, unlike the single-layered 1D-ZnO NRs and 2D-SbSe NF structures alone, which had poor detectivity or response in the measured spectral range. The PD demonstrated a spectral photoresponse ranging from ultraviolet (UV) to visible (220-628 nm) light at intensities as low as 0.15 mW·cm. The PD yielded a * value of 3.15 × 10 Jones (220 nm), which reached up to 5.95 × 10 Jones in the visible light region (628 nm) at a 3 V bias. This study demonstrated that the 2D-SbSe NFs/1D-ZnO NRs PD has excellent potential for low-intensity light detection with a broad bandwidth, which is useful for signal communications and optoelectronic systems.
PubMed: 38850236
DOI: 10.1021/acsami.4c03001 -
The Analyst Jun 2024Antimony-based electrodes are widely used in various fields for pH detection due to their low cost. However, their application in the marine environment is significantly...
Antimony-based electrodes are widely used in various fields for pH detection due to their low cost. However, their application in the marine environment is significantly hampered by the significant potential drift observed in seawater pH measurements. This study focuses on enhancing the stability of a pure antimony electrode by doping various amounts of copper without compromising its pH response. A series of electrochemical tests demonstrated that the fabricated alloy electrodes exhibited excellent pH response characteristics, including sensitivity, ion selectivity, response time, reversibility, and temperature coefficients. Moreover, the alloy electrodes were more resistant to corrosion than the pure antimony electrode, thereby guaranteeing the stability. Notably, the alloy electrodes containing 63 at% and 70 at% antimony exhibited superior electrochemical characteristics. The surface analysis elucidated that the alloy electrode had reduced oxidation, surface cracks and antimony peeling compared to the pure antimony electrode. Furthermore, the prepared alloy electrodes exhibited excellent pH response and stability in simulated high-salinity seawater and real seawater. The above results highlight that doping cheap copper into antimony can improve the electrode stability by enhancing the corrosion resistance and slowing down the oxidation rate, thus enabling reliable long-time operation in a relatively stable state. These findings provide experimental support for developing novel pH electrodes based on non-noble metals for use in challenging environments such as seawater.
PubMed: 38847269
DOI: 10.1039/d4an00606b -
Scientific Reports Jun 2024Heavy metal pollution in mining areas is a major cause of groundwater contamination, characterized by high toxicity, difficult degradability, and easy accumulation, and...
Heavy metal pollution in mining areas is a major cause of groundwater contamination, characterized by high toxicity, difficult degradability, and easy accumulation, and the source of pollution is not easily identified. Relying on the results of groundwater quality analysis tests in a typical mining area, this paper uses the SPSS 18.0 statistical analysis model to analyze the statistical characteristics of different indicator factors in the antimony mining area. The conclusions play a crucial role in implementing health and safety measures for the mining area and its surrounding residents. The statistical study results show that Mn, Se, As, and Sb are closely related to human mining activities and are polluted to varying degrees; the principal component analysis model indicates that the upstream monitoring points 26#, 22#, and 25# in the mining area groundwater are less polluted. The five monitoring points with a comprehensive principal component F > 1 are all located within the range of the metal mine cluster, indicating that the groundwater in the mining area is particularly sensitive to the impact of anthropogenic mineral extraction. This research summarizes the hydrogeological and geochemical statistical characteristics of the groundwater in the mining area, providing a reference for groundwater pollution risk diagnosis, ecological restoration, and heavy metal pollution prevention and control in this and similar mining areas.
PubMed: 38844525
DOI: 10.1038/s41598-024-63460-7 -
Scientific Reports Jun 2024Diabetic retinopathy (DR) is one of the leading causes of adult blindness in the United States. Although studies applying traditional statistical methods have revealed...
Diabetic retinopathy (DR) is one of the leading causes of adult blindness in the United States. Although studies applying traditional statistical methods have revealed that heavy metals may be essential environmental risk factors for diabetic retinopathy, there is a lack of analyses based on machine learning (ML) methods to adequately explain the complex relationship between heavy metals and DR and the interactions between variables. Based on characteristic variables of participants with and without DR and heavy metal exposure data obtained from the NHANES database (2003-2010), a ML model was developed for effective prediction of DR. The best predictive model for DR was selected from 11 models by receiver operating characteristic curve (ROC) analysis. Further permutation feature importance (PFI) analysis, partial dependence plots (PDP) analysis, and SHapley Additive exPlanations (SHAP) analysis were used to assess the model capability and key influencing factors. A total of 1042 eligible individuals were randomly assigned to two groups for training and testing set of the prediction model. ROC analysis showed that the k-nearest neighbour (KNN) model had the highest prediction performance, achieving close to 100% accuracy in the testing set. Urinary Sb level was identified as the critical heavy metal affecting the predicted risk of DR, with a contribution weight of 1.730632 ± 1.791722, which was much higher than that of other heavy metals and baseline variables. The results of the PDP analysis and the SHAP analysis also indicated that antimony (Sb) had a more significant effect on DR. The interaction between age and Sb was more significant compared to other variables and metal pairs. We found that Sb could serve as a potential predictor of DR and that Sb may influence the development of DR by mediating cellular and systemic senescence. The study revealed that monitoring urinary Sb levels can be useful for early non-invasive screening and intervention in DR development, and also highlighted the important role of constructed ML models in explaining the effects of heavy metal exposure on DR.
Topics: Humans; Machine Learning; Metals, Heavy; Diabetic Retinopathy; Female; Male; Middle Aged; ROC Curve; Adult; Risk Factors; Aged; Environmental Exposure
PubMed: 38844504
DOI: 10.1038/s41598-024-63916-w -
Journal of Environmental Management Jun 2024The traditional homogenous and heterogenous Fenton reactions have frequently been restrained by the lower production of Fe ions, which significantly obstructs the...
The traditional homogenous and heterogenous Fenton reactions have frequently been restrained by the lower production of Fe ions, which significantly obstructs the generation of hydroxyl radicals from the decomposition of HO. Thus, we introduce novel photo-Fenton-assisted plasmonic heterojunctions by immobilizing FeO and Bi nanoparticles onto 3D SbO via co-precipitation and solvothermal approaches. The ternary SbO/FeO/Bi composites offered boosted photo-Fenton behavior with a metronidazole (MNZ) oxidation efficiency of 92% within 60 min. Among all composites, the SbO/FeO/Bi-5% hybrid exhibited an optimum photo-Fenton MNZ reaction constant of 0.03682 min, which is 5.03 and 2.39 times higher than pure SbO and SbO/FeO, respectively. The upgraded oxidation activity was connected to the complementary outcomes between the photo-Fenton behavior of SbO/FeO and the plasmonic effect of Bi NPs. The regular assembly of FeO and Bi NPs enhances the surface area and stability of SbO/FeO/Bi. Moreover, the limited absorption spectra of SbO were extended into solar radiation by the Fe defect of FeO NPs and the surface plasmon resonance (SPR) effect of Bi NPs. The photo-Fenton mechanism suggests that the co-existence of FeO/Bi NPs acts as electron acceptor/donor, respectively, which reduces recombination losses, prolongs the lifetime of photocarriers, and produces more reactive species, stimulating the overall photo-Fenton reactions. On the other hand, the photo-Fenton activity of MNZ antibiotics was optimized under different experimental conditions, including catalyst loading, solution pH, initial MNZ concentrations, anions, and real water environments. Besides, the trapping outcomes verified the vital participation of OH, h, and O in the MNZ destruction over SbO/FeO/Bi-5%. In summary, this work excites novel perspectives in developing boosted photosystems through integrating the photocatalysis power with both Fenton reactions and the SPR effects of plasmonic materials.
Topics: Oxidation-Reduction; Metronidazole; Hydrogen Peroxide; Surface Plasmon Resonance; Iron; Water Pollutants, Chemical; Antimony; Water
PubMed: 38838534
DOI: 10.1016/j.jenvman.2024.121347 -
Inorganic Chemistry Jun 2024Two antimony selenites, SbOSeO and SbO(SeO), were synthesized by simultaneously incorporating stereochemically active lone pair electrons containing SeO and Sb. These...
Two antimony selenites, SbOSeO and SbO(SeO), were synthesized by simultaneously incorporating stereochemically active lone pair electrons containing SeO and Sb. These compounds are structured with [SbO] polyhedra and [SeO] units within a two-dimensional framework. Both of them exhibit cutoffs at 300 and 330 nm within the ultraviolet (UV) range and demonstrate significant birefringence, with indices of 0.069 and 0.126 at 546 nm, respectively. These properties highlight their potential as UV birefringent materials. Structural analyses and theoretical calculations reveal that their exceptional birefringence results from the synergistic interactions between SeO anions and Sb cations.
PubMed: 38833633
DOI: 10.1021/acs.inorgchem.4c01681 -
Physical Chemistry Chemical Physics :... Jun 2024Developing high-loading spin-polarized p-block-element-based single-atom catalysts (p-SACs) upon defect-free substrates for various chemical reactions wherein spin...
Developing high-loading spin-polarized p-block-element-based single-atom catalysts (p-SACs) upon defect-free substrates for various chemical reactions wherein spin selection matters is generally considered a formidable challenge because of the difficulty of creating high densities of underpinning stable defects and the delocalized electronic features of p-block elements. Here our first-principles calculations establish that the defect-free rutile TiO(110) wide-bandgap semiconducting anchoring support can stabilize and localize the wavefunctions of p-block metal elements (Sb and Bi) strong ionic bonding, forming spin-polarized -SACs. Cooperated by the underlying d-block Ti atoms a delicate spin donation-back-donation mechanism, the p-block single-atom reactive center Sb(Bi) exhibits excellent catalysis for spin-triplet O activation and CO oxidation in alignment with Wigner's spin selection rule, with a low rate-limiting reaction barrier of ∼0.6 eV. This work is crucial in establishing high-loading reactive centers of high-performance p-SACs for various important physical processes and chemical reactions, especially wherein the spin degree of freedom matters, , spin catalysis.
PubMed: 38832399
DOI: 10.1039/d4cp00352g -
Journal of Visualized Experiments : JoVE May 2024Through various studies on thermoelectric (TE) materials, thin film configuration gives superior advantages over conventional bulk TEs, including adaptability to curved...
Through various studies on thermoelectric (TE) materials, thin film configuration gives superior advantages over conventional bulk TEs, including adaptability to curved and flexible substrates. Several different thin film deposition methods have been explored, yet magnetron sputtering is still favorable due to its high deposition efficiency and scalability. Therefore, this study aims to fabricate a bismuth telluride (Bi2Te3) and antimony telluride (Sb2Te3) thin film via the radio frequency (RF) magnetron sputtering method. The thin films were deposited on soda lime glass substrates at ambient temperature. The substrates were first washed using water and soap, ultrasonically cleaned with methanol, acetone, ethanol, and deionized water for 10 min, dried with nitrogen gas and hot plate, and finally treated under UV ozone for 10 min to remove residues before the coating process. A sputter target of Bi2Te3 and Sb2Te3 with Argon gas was used, and pre-sputtering was done to clean the target's surface. Then, a few clean substrates were loaded into the sputtering chamber, and the chamber was vacuumed until the pressure reached 2 x 10 Torr. The thin films were deposited for 60 min with Argon flow of 4 sccm and RF power at 75 W and 30 W for Bi2Te3 and Sb2Te3, respectively. This method resulted in highly uniform n-type Bi2Te3 and p-type Sb2Te3 thin films.
Topics: Bismuth; Antimony; Tellurium; Radio Waves
PubMed: 38829117
DOI: 10.3791/66248