Ionic liquids intercalation in titanium carbide MXenes: A first-principles investigation.

Herein, we present a density functional theory with dispersion correction (DFT-D) calculations that focus on the intercalation of ionic liquids (ILs) electrolytes into the two-dimensional (2D) Ti3C2Tx MXenes. These ILs include the cation 1-ethyl-3-methylimidazolium (Emim+), accompanied by three distinct anions: bis(trifluoromethylsulfonyl)imide (TFSA-), (fluorosulfonyl)imide (FSA-) and fluorosulfonyl(trifluoromethanesulfonyl)imide (FTFSA-). By altering the surface termination elements, we explore the intricate geometries of IL intercalation in neutral, negative, and positive pore systems. Accurate estimation of charge transfer is achieved through five population analysis models, such as Hirshfeld, Hirshfeld-I, DDEC6 (density derived electrostatic and chemical), Bader, and VDD (voronoi deformation density) charges. In this work, we recommend the DDEC6 and Hirshfeld-I charge models, as they offer moderate values and exhibit reasonable trends. The investigation, aimed at visualizing non-covalent interactions, elucidates the role of cation-MXene and anion-MXene interactions in governing the intercalation phenomenon of ionic liquids within MXenes. The magnitude of this role depends on two factors: the specific arrangement of the cation, and the nature of the anionic species involved in the process.

Biological enzyme treatment of starch-based lithium-ion battery silicon-carbon composite.

Silicon/carbon composites have the disadvantages of large volume expansion and high cost, which limits their commercial application. In this study, green and economic starch was used to prepare porous starch (PS) under the action of enzymes, and then nano-silica was embedded in the PS. A PS based carbon/silicon/carbon composite was prepared by coating and carbonizing the starch slurry, which can alleviate the volume expansion of silicon. The results show that the anode composite material with 20% silicon content has a high initial capacity of 869 mAh g-1 and an initial Coulombic efficiency of 66% at 0.2 A g-1, and the specific capacity is maintained 450 mAh g-1 after 100 cycles. When the silicon content reaches 30%, the reversible capacity of the composite is 1490 mAh g-1 at a current density of 0.2 A g-1, and the capacity remains 850 mAh g-1 after 100 cycles. Its excellent properties and stability are attributed to the abundant porosity of the carbon in the starch derived layer, which improves the structural stability and electrochemical kinetics. This method provides a reference for the sustainable and environmental protection of lithium-ion battery anode materials.

A hybrid solid electrolyte for solid-state sodium ion batteries with good cycle performance.

A ceramic in polymer hybrid solid electrolyte (HSE) based on a poly vinylidene fluoride-hexafluoropropylene (PVDF-HFP) polymer comprising Na3Zr2Si2PO12 (NASICON) ceramic particles was prepared by a simple solution casting method followed by activation in a liquid electrolyte. The prepared HSE exhibits good flexibility, high ionic conductivity of 2.25 × 10-3 S cm-1 at room temperature (RT), and good interface stability. The carbon coated sodium vanadium phosphate (Na3V2(PO4)3/C) cathode was synthesized by the sol-gel method and assembled into batteries with different electrolytes. The batteries based on HSE exhibit better electrochemical performance than that of NASICON ceramic solid electrolytes, which delivers a reversible capacity of 98 mAh · g-1 at 0.2 C and exhibits good capacity retention of 85% after 175 cycles at 0.5 C. Not only does the HSE inherit great flexibility, but also exhibits good interfacial contact with electrodes. The schematic diagram of Na-ion conductivity in ceramic, polymer and HSE was illustrated to demonstrate the sodium ion transport mechanism. The HSE with high ionic conductivity and good flexibility for interfacial contact with electrodes shall provide a designing strategy for different solid-state batteries.

Colorimetric and photothermal dual-mode aptasensor with redox cycling amplification for the detection of ochratoxin A in corn samples.

Ochratoxin A (OTA) detection is critical for public health safety. This study proposes a G-quadruplex-Hemin/iodide (G4-Hemin/I-)-mediated non-enzyme redox cycling amplification (RCA) system for dual-modal (colorimetric and photothermal thermometer) OTA analysis. The proposed aptasensor platform for point-of-care testing employs a common thermometer for quantitative signal readouts. The OTA aptamer folds into a G4 structure, which significantly enhances the catalytic activity in the presence of I- after RCA reaction. Moreover, a notable temperature enhancement causes color changes, providing an ultrasensitive and label-free platform for OTA detection. Further, the designed sensor was applied to OTA content determination in corn samples and achieved satisfactory results compared to a commercial enzyme-linked immunoassay kit. The proposed dual-mode aptasensor is simple, highly sensitive (1 pg/mL for colorimetric method, 0.8 pg/mL for photothermal method), selective, and suitable for low-cost instrument-free bioanalysis in low-resource settings.

[Laser Raman spectral investigations of the carbon structure of LiFePO4/C cathode material].

In the present paper, Laser Raman spectral was used to study the carbon structure of LiFePO4/C positive material. The samples were also been characterized by X-ray diffraction (XRD), scanning electron microscope(SEM), selected area electron diffraction (SEAD) and resistivity test. The result indicated that compared with the sp2/sp3 peak area ratios the I(D)/I(G) ratios are not only more evenly but also exhibited some similar rules. However, the studies indicated that there exist differences of I(D)/ I(G) ratios and sp2/sp3 peak area ratios among different points in the same sample. And compared with the samples using citric acid or sucrose as carbon source, the sample which was synthetized with mixed carbon source (mixed by citric acid and sucrose) exhibited higher I(D)/I(G) ratios and sp2/sp3 peak area ratios. Also, by contrast, the differences of I(D)/I(G) ratios and sp2/sp3 peak area ratios among different points in the same sample are less than the single carbon source samples' datas. In the scanning electron microscopy (sem) and transmission electron microscopy (sem) images, we can observed the uneven distributions of carbon coating of the primary particles and the secondary particles, this may be the main reason for not being uniform of difference data in the same sample. The obvious discreteness will affect the normal use of Raman spectroscopy in these tests.

Achieving ultrastability and efficient lithium storage capacity with high-energy iron(II) oxalate anode materials by compositing Ge nano-conductive sites.

Transition metal oxalates (TMOxs, represented by iron oxalate) have attracted considerable interest in anode materials due to their excellent lithium storage properties and consistent cyclic performance. Although investigations into their electrochemical capabilities and lithium storage mechanisms are gradually deepening, the complex and varied electrochemical reactions in the initial cycle, poor inherent conductivity, and high irreversible capacity constrain their further development. Herein, to solve the above-mentioned problems, we controlled the hydrothermal synthesis conditions of iron oxalate with the assistance of organic solvents, which induced the growth of iron oxalate crystals with nano Ge metal as the core. The metal Ge space sites compounded to the stacked iron oxalate particles act as conductive nodes and metal frames, which enhances both the strength of iron oxalate samples and electronic conductivity and lithium-ion diffusion inside the electrode materials. This special structure enhances the electrochemical activity of iron oxalates and improves their lithium storage capability. The iron oxalate @ nano Ge metal composite (FCO@Ge-1) exhibits an excellent cycling performance and an appreciable reversible specific capacity (1090 mA h g-1 after 200 cycles at 1 A g-1). The obvious polarization and variation of the electrochemical reaction in the initial cycle of iron oxalate are reduced by compositing nano Ge metal. It is demonstrated that nano Ge metal can promote reversible capacity retention from 67.72% to 80.69% in the early cycles. The distinctive structure of iron oxalate @ nano Ge metal composite provides a fresh pathway to enhance oxalate electrochemical reversible lithium storage activity and develop high-energy electrode material by constructing composite space conductive sites.

Facile Dissolution-Crystallization Strategy to Achieve Rapid and Uniform Distribution of Sulfur on Porous Carbon for Lithium-Sulfur Batteries.

In this work, we proposed a facile dissolution-crystallization strategy based on density functional theory calculations to achieve rapid as well as uniform distribution of sulfur on porous carbon. Sulfur-containing solution can completely penetrate porous material and in preference remove into the pores under the influence of capillary force, and sulfur tends to crystallize on the defective even non-defective carbon matrix rather than agglomerate. The S/PC composites prepared by this method can still achieve uniform distribution of sulfur when the sulfur content is as high as 85%. All operations can be completed within a few minutes without any heating. Compared with common melt-diffusion and vapor-phase infusion, this approach has lower energy consumption and is simple, safe, continuous, and rapid.

Highly dispersed Co nanoparticles decorated on a N-doped defective carbon nano-framework for a hybrid Na-air battery.

Efficient and low-cost bifunctional electrocatalysts for the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) are of vital importance in energy conversion. Herein, an excellent highly dispersed Co nanoparticle decorated N-doped defective carbon nano-framework (Co-N-C) derived from a ZnCo bimetal organic framework (bi-MOF) is reported. A high specific surface area originating from zinc evaporation facilitates the adsorption and desorption of oxygen, which promotes the accessibility of catalytic sites. The abundant Co-N-C species act as strong bridging bonds between Co nanoparticles and carbon materials which facilitate interfacial electron transfer. Co-N-C-0.5 (0.5 represents the molar ratio of Zn in the initial ZIF-67) exhibits a low overpotential gap of 0.94 V due to the number of active sites (e.g. N-doped defective carbon and the CoNx/Co composite) and fast interfacial electron transfer. In addition, a hybrid Na-air battery with the Co-N-C-0.5 material displays a low voltage gap of 0.31 V and a high round-trip efficiency of 90.0% at a current density of 0.1 mA cm-2. More importantly, the hybrid Na-air battery shows fantastic cyclability for charging and discharging due to its stable structure. Our results confirm Co-N-C materials derived from a bi-MOF as alternatives to high-cost Pt/C catalysts for ORR and OER activities in metal-air batteries.

An innovative energy-saving in-flight melting technology and its application to glass production.

The conventional method used for glass melting is air-fuel firing, which is inefficient, energy-intensive and time-consuming. In this study, an innovative in-flight melting technology was developed and applied to glass production for the purposes of energy conservation and environmental protection. Three types of heating sources, radio-frequency (RF) plasma, a 12-phase alternating current (ac) arc and an oxygen burner, were used to investigate the in-flight melting behavior of granulated powders. Results show that the melted particles are spherical with a smooth surface and compact structure. The diameter of the melted particles is about 50% of that of the original powders. The decomposition and vitrification degrees of the prepared powders decrease in the order of powders prepared by RF plasma, the 12-phase ac arc and the oxygen burner. The largest heat transfer is from RF plasma to particles, which results in the highest particle temperature (1810 °C) and the greatest vitrification degree of the raw material. The high decomposition and vitrification degrees, which are achieved in milliseconds, shorten the melting and fining times of the glass considerably. Our results indicate that the proposed in-flight melting technology is a promising method for use in the glass industry.

Preparation of Nickel Nanoparticles by Direct Current Arc Discharge Method and Their Catalytic Application in Hybrid Na-Air Battery.

Nickel nanoparticles were prepared by the arc discharge method. Argon and argon/hydrogen mixtures were used as plasma gas; the evaporation of anode material chiefly resulted in the formation of different arc-anode attachments at different hydrogen concentrations. The concentration of hydrogen was fixed at 0, 30, and 50 vol% in argon arc, corresponding to diffuse, multiple, and constricted arc-anode attachments, respectively, which were observed by using a high-speed camera. The images of the cathode and anode jets were observed with a suitable band-pass filter. The relationship between the area change of the cathode/anode jet and the synchronous voltage/current waveform was studied. By investigating diverse arc-anode attachments, the effect of hydrogen concentration on the features of nickel nanoparticles were investigated, finding that 50 vol% H2 concentration has high productivity, fine crystallinity, and appropriate size distribution. The synthesized nickel nanoparticles were then used as catalysts in a hybrid sodium⁻air battery. Compared with commercial a silver nanoparticle catalyst and carbon black, nickel nanoparticles have better electrocatalytic performance. The promising electrocatalytic activity of nickel nanoparticles can be ascribed to their good crystallinity, effective activation sites, and Ni/NiO composite structures. Nickel nanoparticles prepared by the direct current (DC) arc discharge method have the potential to be applied as catalysts on a large scale.