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Cesium lead bromide (CsPbBr3) quantum dots (QDs) have shown great potential in the field of luminescent materials owing to their superior optical and electrical properties. However, instability and lack of multicolor emissions resulting from the intrinsic nature of CsPbBr3 QDs are still the major challenge for their commercialization. Herein, Eu3+ and Tm3+ co-doped CsPbBr3 QD glass nanocomposites (GNCs) are successfully synthesized via traditional melt-quenching followed by a heat-treatment route to obtain tunable emission in a durable host material. Tm3+ ions are doped to blue-shift the main emission peak of CsPbBr3 QDs, while Eu3+ ions are incorporated to compensate for the red deficiency. Accordingly, a tunable color emission spanning the entire visible spectrum is achieved from GNCs with a fixed composition. The incorporation of Eu3+ and Tm3+ ions promotes the crystallization of CsPbBr3 QDs in the glass host resulting in ∼100% photoluminescence quantum yield (PLQY) using a dilution method. The selected glass host has also been proven to effectively protect CsPbBr3 QDs against chemical, thermal and photo degradation. Interestingly, the selected Eu3+/Tm3+ co-doped CsPbBr3 QD GNC shows warm-white light with a low color temperature of 3692 K without utilizing any commercial phosphors. This indicates that the produced GNCs have the potential to be used as light convertor materials in multi-color LED or warm white LED applications due to their robust stability and extremely pure and tunable emission colors.Element doping is an essential method for adjusting band structure, light absorbance and charge transfer, and separation of semiconductors. Besides this, whether the photocatalyst can function in an oxygen-deficient environment is also important. Herein, a novel Z-scheme heterojunction photocatalyst O-doped g-C3N4/WO3 (OCN/W) was fabricated and used for the photocatalytic degradation of tetracycline (TC) at different dissolved oxygen concentrations. The introduction of O atoms into g-C3N4via hydrothermal treatment manipulates the band structure of the material by increasing the conduction band potential, thus producing more ˙O2-. The TC removal rate of OCN/W-2.0 is 89.8% within 60 min under visible light irradiation, which is 1.77 times higher than that of porous g-C3N4 nanosheets (PCN). Furthermore, the photocatalytic performance of OCN/W-2.0 also reaches 75% even under oxygen-deficient conditions. The effects of different anions and humic acid in the reaction system can be neglected. The enhanced performance can be attributed to the improved charge separation and the outstanding optical properties of the Z-scheme heterojunction. A possible mechanism was postulated, in which ˙O2- and h+ are the main reactive species in TC degradation. The OCN/W-2.0 shows a stable structure and outstanding reusability. This work provides insight into antibiotics removal under different dissolved oxygen conditions and the design of photocatalysts for practical applications.In this paper, BaAl2O4Eu2+-Al2O3 ceramics were successfully prepared by spark plasma sintering (SPS). The optical properties of the multiphase ceramics doped with different concentrations of alumina were studied. Under excitation with 365 nm ultraviolet light, the luminescent color of the samples can be adjusted by changing the sintering temperature and the contents of alumina addition. The temperature dependent fluorescence spectra in the temperature range of 4 K-434 K were measured, and the temperature dependent fluorescence intensity ratio (FIR) was calculated. The FIR monotonically increased with the increase of temperature, indicating that the material could be used for temperature sensing. The absolute sensitivity Sa of the temperature sensing fluorescent material is larger than 0.005 K-1 at 334 K-434 K, and the relative sensitivity Sr is larger than 0.75% K-1 at 304 K-434 K. The results show that the BaAl2O4Eu2+-Al2O3 ceramic is a promising non-contact temperature sensing material.Correction for 'The multifaceted nature of antimicrobial peptides current synthetic chemistry approaches and future directions' by Bee Ha Gan et al., Chem. Soc. Rev., 2021, 50, 7820-7880, DOI 10.1039/D0CS00729C.An AB-type monomer based on a pillar[5]arene host and an imidazolium salt guest was successfully synthesized through a facile way. This monomer can self-assemble into linear supramolecular polymers in chloroform. After the addition of silver ions, the imidazolium salt group coordinated with silver ions to crosslink the linear supramolecular polymers at their ends, resulting in the formation of supramolecular polymer networks. Meanwhile, after further adding iodide ions, the supramolecular polymer network changed back to the linear supramolecular polymer. As a result, the topological structure of the system can be reversibly tuned. Furthermore, this supramolecular polymer network can be applied to remove organic dyes in water, suggesting its great potential in the treatment of waste water.Perovskite oxyhydrides such as BaTiO2.5H0.5 have been found to be able to catalyze NH3 synthesis, but the mechanism and the role of the catalyst's lattice hydrides in the catalytic reaction remain unknown. Here we employ first principles density functional theory to investigate the mechanism of ammonia synthesis and the role of lattice hydrides on a prototypical perovskite oxyhydride, BaTiO2.5H0.5 (BTOH). Two mechanistic hypotheses, the distal and alternating pathways, have been tested on the Ti2O2 termination of the BTOH (210) surface, previously determined to be the most stable surface termination under the reaction conditions considered. In the distal pathway, H atoms hydrogenate N2 to form the *N-NHx key intermediates, followed by N-N bond breaking. In the alternating pathway, H atoms hydrogenate N2 in an alternating fashion to form the *NHx-NHy intermediates before N-N bond breaking and formation of co-adsorbed *NHx/*NHy on the surface. We find that the subsurface hydride vacancy formed after reaction of *N2 with the lattice hydride is key to the distal pathway, leading to surface nitride formation after breaking the *N-NH3 bond, while the neighboring surface Ti sites are key to bridging and stabilizing the *NNH intermediate in the alternating pathway. In both pathways, desorption of NH3 is the most uphill in energy. Our results provide important insights into the role of hydrides and surface vacancies in hydrogenation reactions over BTOH, which will be useful to guide future spectroscopic experiments such as operando IR and inelastic neutron scattering to verify the key intermediates.Hollow/porous nanomaterials are widely applicable in various fields. The last few years have witnessed increasing interest in the nanoscale Kirkendall effect as a versatile route to fabricate hollow/porous nanostructures. The transformation of Cu-Co Prussian blue analogue (CuCo-PBA) and FeFe-PBA nanocubes into CuO/Co3O4 and Fe2O3 nanoframes is based on two types of nanoscale Kirkendall effect, which are related to solid-solid interfacial oxidation and solid-gas interfacial reaction, respectively. Both CuO/Co3O4 and Fe2O3 nanoframe electrodes exhibit high reversible discharge capacity, good rate performance and long cycling stability. Moreover, an asymmetric supercapacitor (ASC) is assembled by using CuO/Co3O4 as a cathode and Fe2O3 as an anode, respectively. The ASC can be operated in a wide potential range of 1.4 V with a large specific capacity of 181.8 F g-1, a high energy density of 48.77 W h kg-1 (at 751.2 W kg-1), an outstanding power density of 3657.8 W kg-1 (at 32.9 W h kg-1) and a good capacity retention (73.68%) after 6000 galvanostatic charge-discharge cycles, together with excellent flexibility. The ASC in series can power a LED and work stably under water conditions, delivering excellent practicability.The photocatalyst surface is central to photocatalytic reactions. However, it has been a challenge to explicitly understand both the surface configuration and the structure-dependent photocatalytic properties at the atomic level. First-principles density functional theory (DFT) calculations provide a versatile method that makes up for the lack of experimental surface studies. In DFT calculations, the initial surface model greatly affects the accuracy of the calculation results. Consequently, establishing a more realistic and more reliable material surface models is undoubtedly the first step and the most important link in theoretical calculations. The aim of this Perspective is to provide a general understanding of the methods for the surface modeling of photocatalytic materials in recent years. We begin with a discussion of the basic theories applied in photocatalytic surface research, followed by an explanation of the importance of surface modeling in photocatalysis. We then elaborate on the advantages and disadvantages of the basic surface model and briefly describe the latest surface modeling methods. Finally, we evaluate the rationality of current surface modeling methods. We summarize this Perspective by prospecting the developing directions of photocatalytic surface research in the future. It is believed that a reasonable surface model should be verified by both experimental characterization and theoretical computation with negative feedback.Chalcopyrite CuInSe2 (CISe)-based thin-film photovoltaic solar cells have been attracting attention since the 1970s. The technologies of CISe-based thin-film growth and device fabrication processes have already been put into practical applications and today commercial products are available. Nevertheless, there are numerous poorly understood areas in the physical and chemical aspects of the underlying materials science and interfacial and bulk defect physics in CISe-based thin-films and devices for further developments. In this paper, current issues in physical and chemical studies of CISe-based materials and devices are reviewed. Correlations between Cu-deficient phases and the effects of alkali-metals, applications to lightweight and flexible solar minimodules, single-crystalline epitaxial Cu(In,Ga)Se2 films and devices, differences between Cu(In,Ga)Se2 and Ag(In,Ga)Se2 materials, wide-gap CuGaSe2 films and devices, all-dry processed CISe-based solar cells with high photovoltaic efficiencies, and also fundamental studies on open circuit voltage loss analysis and the energy band structure at the interface are among the main areas of discussion in this review.The work provides a computational protocol to predict the anti-corrosive performance of organic molecules through three successive phases of calculations; electron propagator theory (EPT), Monte Carlo (MC) simulations, and the density functional based tight-binding (DFTB) method. The protocol was applied to investigate the influence of two structural factors on the anti-corrosive performance of benzo fused-N-heterocycles (BFNHs) against the Fe(110) surface in an acidic medium; positional isomerism and the gradual insertion of nitrogen atoms in the heterocycle ring. The choice of BFNHs is attributed to their anti-corrosion activity and their use as building blocks in the molecular structure of many organic inhibitors. The findings indicate that EPT is a safe method for calculating the quantum chemical descriptors of the isolated molecules. Besides, the current work recommends using MC simulations and the DFTB method to describe the physical and chemical adsorption, respectively. selleckchem Unexpected results were observed, as the gradual insertion of nitrogen atoms is not a specific factor for improving the inhibition efficiency of BFNHs.
Website: https://www.selleckchem.com/
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