Chaneydugan3610

There are many studies concentrated on high-temperature performance of SnSe2, but few studies were conducted on low-temperature properties of embedded SnSe2. In this work, a series of SnCu x Se2 (x = 0, 0.01, 0.02, and 0.05) layered structures have been successfully synthesized by a melt quenching, mechanical milling process, and spark plasma sintering (SPS) method. Meanwhile, the thermal and electrical transport properties of all synthesized samples are measured. These results suggest that the embedding of Cu into SnSe2 results in a high carrier concentration (1019/cm3). In addition, the enhancement of defect and interfacial phonon scattering caused by Cu embedding as well as the weak van der Waals force between layers makes a low thermal conductivity (0.81 W/mK) for the SnCu0.01Se2 at 300 K. Moreover, the maximum ZT is acquired up to 0.75 for the SnCu0.01Se2 sample at 300 K, which is about 2 orders of magnitude higher than the pristine sample (0.009). These features indicate that Cu-embedded SnSe2 can be a promising thermoelectric material at gentle temperature.Despite their high therapeutic potential, only a limited number of approved drugs originate from marine natural products. A possible reason for this is their broad metabolic variability related to the environment, which can cause reproducibility issues. Consequently, a further understanding of environmental factors influencing the production of metabolites is required. Giant barrel sponges, Xestospongia spp., are a source of many new compounds and are found in a broad geographical range. In this study, the relationship between the metabolome and the geographical location of sponges within the genus Xestospongia spp. was investigated. One hundred and thirty-nine specimens of giant barrel sponges (Xestospongia spp.) collected in four locations, Martinique, Curaçao, Taiwan, and Tanzania, were studied using a multiplatform metabolomics methodology (nuclear magnetic resonance spectroscopy and liquid chromatography-mass spectrometry). A clear grouping of the collected samples according to their location was shown. Metabolomics analysis revealed that sterols and various fatty acids, including polyoxygenated and brominated derivatives, were related to the differences in locations. To explore the relationship between observed metabolic changes and their bioactivity, antibacterial activity was assessed against Escherichia coli and Staphylococcus aureus. The activity was found to correlate with brominated fatty acids. These were isolated and identified as (9E,17E)-18-bromooctadeca-9,17-dien-5,7,15-triynoic acid (1), xestospongic acid (2), (7E,13E,15Z)-14,16-dibromohexadeca-7,13,15-trien-5-ynoic acid (3), and two previously unreported compounds.Graphene has attracted attention because of its interesting properties in catalyst applications including as a catalyst support; however, it is known that the graphene can be restacked, forming a graphite-like structure that leads to poor specific surface area. Hence, the high-porosity graphene aerogel was used as a Cu-Ni catalyst support to produce dimethyl carbonate (DMC) from carbon dioxide and methanol. selleck inhibitor In this work, we have introduced a new synthesis route, which can improve the dispersion of metal particles on the graphene aerogel support. Cu-Ni/graphene aerogel catalysts were synthesized by a two-step procedure forming Cu-Ni/graphene aerogel catalysts via hydrothermal reduction and then Cu-Ni loading by incipient wetness impregnation. It is found that the catalyst prepared by the two-step procedure exhibits higher DMC yield (25%) and MeOH conversion (18.5%) than those of Cu-Ni loading only by an incipient wetness impregnation method. The results prove that this new synthesis route can improve the performance of Cu-Ni/graphene aerogel catalysts for DMC production.BaTiS3 is a semiconductor with a small bandgap of ∼0.5 eV and strong transport anisotropy caused primarily by structural anisotropy; it contains well-separated octahedral columns along the [0001] direction and low lattice thermal conductivity, appealing for thermoelectric applications. Here, we evaluate the prospect of BaTiS3 as a thermoelectric material by using the linearized electron and phonon Boltzmann transport theory based on the first-principles density functional band structure calculations. We find sizable values of the key thermoelectric parameters, such as the maximum power factor PF = 928 μW K-2 and the maximum figure of merit ZT = 0.48 for an electron-doped sample and PF = 74 μW K-2 and ZT = 0.17 for a hole-doped sample at room temperature, and a small doping level of ±0.25e per unit cell. The increase in temperature yields an increase in both the power factor and the figure of merit, reaching large values of PF = 3078 μW K-2 and ZT = 0.77 for the electron-doped sample and PF = 650 μW K-2 and ZT = 0.62 for the hole-doped sample at 800 K. Our results elucidate the promise of BaTiS3 as a material for the thermoelectric power generator.A series of eight benzo[1,2-d4,5-d']bisoxazole (BBOs) were synthesized using the heredity principle as a design motif, whereby we investigated which characteristics of the linear parents were inherited by their cross-conjugated children. Four linear parents bearing 4-tert-butylbenzene (P) or 1,3-bis(4-tert-butylphenyl)benzene (M) at either the 2,6- or 4,8-position on the BBO and four cross-conjugated children bearing various combinations of the two isoelectronic aryl substituents were evaluated. Due to the bulky nature of the M substituent compared to that of the P substituent, the influence of steric hindrance along the BBO axes was explored theoretically and experimentally. The optical and electronic properties of each molecule were investigated in the solution and solid state using density functional theory (DFT) and time-dependent DFT (TD-DFT) and characterized using ultraviolet photoelectron spectroscopy (UPS), ultraviolet-visible (UV-vis) spectroscopy, and photoluminescence (PL) spectroscopy. The well-correlated theoretical and experimental results showed that the selective tuning of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels was possible through the strategic placement of substituents without impacting the H → L transition energy. Specifically, the theoretical results demonstrated that for the BBO children the HOMO and LUMO energy levels were inherited from the 4,8- and 2,6-parents, respectively. Each molecule was found to exhibit emission maxima ≤451 nm, making them ideal candidates for blue organic light-emitting diode (OLED) materials.Using density functional theory calculations, the adsorption of gaseous molecules (NO, NO2, NH3, SO2, CO, HCN, O2, H2, N2, CO2, and H2O) on the graphitic SiC monolayer and bilayer has been investigated to explore the possibilities in gas sensors for NO, NO2, and NH3 detection. The strong adsorption of NO2 and SO2 on the SiC monolayer precludes its applications in nitride gas sensors. The nitride gases (NO, NO2, and NH3) are chemisorbed on the SiC bilayer with moderate adsorption energies and apparent charge transfer, while the other molecules are all physisorbed. Further, the bilayer can effectively weaken the adsorption strength of NO2 and SO2 molecules, that is, NO2 molecules are only weakly chemisorbed on the SiC bilayer with an E ads of -0.62 eV, while SO2 are physisorbed on the bilayer. These results indicate that the SiC bilayer can serve as a gas sensor to detect NO, NO2, and NH3 gases with excellent performance (high sensitivity, high selectivity, and rapid recovery time). Moreover, compared with other molecular adsorptions, the adsorption of NH3 molecules significantly changes the work function of the SiC monolayer and bilayer, indicating that they can be used as optical gas sensors for NH3 detection.A strategy for the efficient recovery of highly pure copper and antimony metals from electronic waste (e-waste) was implemented by the combination of hydrometallurgical and electrochemical processes. The focus is on copper recovery as the main component in the leached solution, whereas the antimony recovery process was established as a purification step in order to achieve a highly pure copper deposit. The strategy includes mechanical methods to reduce the size of the wasted printed circuit boards to enhance the efficiency of antimony and copper lixiviation via ferric chloride in acidic media (0.5 M HCl) followed by an electrowinning process. In order to establish the best parameters for copper electrowinning, the leached solution was characterized by cyclic voltammetry and cathodic polarization. Then, an electrochemical reactor with a rotating cylinder electrode was used to evaluate the copper concentration decay, the cathodic current efficiency, the specific energy consumption, and mass-transfer coefficient. Furthermore, antimony was recovered via precipitation by a pH modification in accordance with the Pourbaix diagram. Under this methodology, two valuable products from the e-waste were recovered a 96 wt % pure copper deposit and 81 wt % pure antimony precipitate. The strategy for recovery of other metal ions, such as lead, present in the e-waste at high concentrations will be reported in further works.The properties of succinonitrile-based electrolytes can be enhanced by the addition of an ionic liquid (IL). Here, we have reported the relationship between the electrical transport properties and the structure of a new [(1 - x)succinonitrilexIL]-LiI-I2 electrolyte, where the mole fraction (x) of the IL (1-butyl-3-methyl imidazolium iodide) was varied from 0 to 40%. Compositional variation revealed the optimum conducting electrolyte (OCE) at x = 10 mol %, possessing an electrical conductivity (σ25°C) of ∼7.5 mS cm-1 with an enhancement of ∼369%. The partial replacement of succinonitrile by the IL eliminated the abrupt change in the slope of the log σ vs T -1 plot at the melting temperature of the succinonitrile-LiI-I2 system, showing the Vogel-Tamman-Fulcher-type behavior owing to molecular chain disorder. Raman spectroscopy showed the I3 - concentration nearly twice the I5 - concentration for the OCE. Vibrational spectroscopy exhibited red shifts in the νC≡N, νCH2 , νa,CC, νa,N-CH3 , and νs,N-butyl modes, indicating an interaction between succinonitrile and the IL. The area ratio A CH2 /A C≡N increased slightly for x = 10 mol % (OCE) and largely for x > 10 mol %, indicating an increase in the C-H bond length. These observations indicated that the interaction between succinonitrile and the IL was enhanced at x > 10 mol %, which decreased the electrical conductivity of these electrolytes. Owing to fast ion transport, an OCE-based dye-sensitized solar cell showed a 40-55% decrease in the charge-transfer and Warburg resistances, resulting in ∼139 and ∼122% increases in J SC and η, respectively.Uniform rectangular α-Fe2O3 nanorods (R-Fe2O3) and irregular α-Fe2O3 nanorods (D-Fe2O3) with a random size vertically aligned on fluorine-doped tin oxide were prepared with a facile one-step hydrothermal procedure. X-ray diffraction (XRD) measurements and Raman spectra confirm that the obtained samples are α-Fe2O3, and XRD patterns show that D-Fe2O3 has two extra (012) and (104) planes of hematite in addition to the identical peaks to R-Fe2O3. The carrier density of the D-Fe2O3 sample is four times larger than that of R-Fe2O3. Finally, the D-Fe2O3 photoelectrode exhibited a better photoelectrochemical (PEC) performance under visible illumination than that of R-Fe2O3, achieving the photocurrent density of 0.15 mA cm-2 at 1.23 V versus reversible hydrogen electrode. In addition, incident photo-to-current conversion efficiency of D-Fe2O3 is nearly three times larger than that of R-Fe2O3. Hence, the improved PEC performance of D-Fe2O3 can be ascribed to higher carrier density resulting from the amount of oxygen vacancies and more activated exposed surface facets.