Search Results (38)

Rechargeable sodium-ion batteries (SIBs) have attracted considerable attention owing to the natural abundance and accessibility of sodium. Maricite NaMnPO₄, a phosphate-based cathode material with high theoretical capacity, suffers from blocked sodium-ion diffusion channels. In this study, atomistic simulations using pair potentials and density functional theory (DFT) are employed to investigate intrinsic defect mechanisms, sodium-ion migration pathways, and the role of dopant incorporation at Na, Mn, and P sites in generating Na vacancies and interstitials. Among the intrinsic defects, the Na–Mn anti-site cluster emerges as the most favorable, exhibiting a very low formation energy of 0.12 eV, while the Na Frenkel pair (1.93 eV) is the next most stable defect, indicating that sodium diffusion is primarily facilitated by vacancy formation. Nevertheless, sodium-ion mobility in NaMnPO₄ remains limited, as reflected by the relatively high migration activation energy of 1.28 eV. Among the isovalent substitutions, K is predicted to be the most favorable dopant at the Na site, whereas Ca and Cu are the most favorable at the Mn site. Thallium is identified as a promising dopant at the Mn site for generating Na vacancies that facilitate Na-ion migration, while Ge substitution at the P site is predicted to enhance the sodium content in the material. Full article

Silicon carbide (SiC) and silicon nanoparticle-decorated carbon (Si/C) materials are electrodes that can potentially be used in various rechargeable batteries, owing to their inimitable merits, including non-flammability, stability, eco-friendly nature, low cost, outstanding theoretical capacity, and earth abundance. However, SiC has inferior electrical conductivity, volume expansion, a low Li⁺ diffusion rate during charge–discharge, and inevitable repeated formation of a solid–electrolyte interface layer, which hinders its commercial utilization. To address these issues, extensive research has focused on optimizing preparation methods, engineering morphology, doping, and creating composites with other additives (such as carbon materials, metal oxides, nitrides, chalcogenides, polymers, and alloys). Owing to the upsurge in this research arena, providing timely updates on the use of SiC and Si/C for batteries is of great importance. This review summarizes the controlled design of SiC-based and Si/C composites using various methods for rechargeable metal-ion batteries like lithium-ion (LIBs), sodium-ion (SIBs), zinc-air (ZnBs), and potassium-ion batteries (PIBs). The experimental and predicted theoretical performance of SiC composites that incorporate various carbon materials, nanocrystals, and non-metal dopants are summarized. In addition, a brief synopsis of the current challenges and prospects is provided to highlight potential research directions for SiC composites in batteries. Full article

Nanoparticles of GdAlO₃:Ce were synthesized with sodium dodecylbenzene sulfonate (SDBS) as the dispersant and ammonia as the precipitant by co-precipitation reaction to prepare precursors under different conditions. The phase composition of the precursors and the particle morphology were characterized by thermogravimetry-differential thermal analysis (TG-DTA), X-ray diffraction (XRD), and scanning electron microscope (SEM). The excitation and emission spectra of the resultant samples were analyzed using a photoluminescence spectroscope (PL). The results showed that the as-prepared, well-dispersed, nano-sized GdAlO₃:Ce powder displayed spherical morphology at the initial concentration of metallic salt in liquor of 0.3 mol/L; the synthesized temperature was 0 °C, and it was calcined at 1300 °C for 2 h. The relative intensity of the photoluminescence peak had the maximum value when the Ce³⁺ dopant content was 0.9 mol% (mole fraction). The concentration quench occurred when the Ce³⁺ dopant content exceeded 0.9 mol%, and the peak of the excitation spectrum appeared at a wavelength of 381 nm. Full article

Na₃V₂(PO₄)₃ (NVP), a NASICON-type material, has gained attention as a promising battery cathode owing to its high sodium mobility and excellent structural stability. Using computational simulation techniques based on classical potentials and density functional theory (DFT), we examine the defect characteristics, diffusion mechanisms, and dopant behavior of the NVP. The study found that the Na Frenkel defect is the most favorable intrinsic defect, supporting the desodiation process necessary for capacity and enabling vacancy-assisted Na-ion migration. The Na migration is anticipated through a long-range zig-zag pathway with an overall activation energy of 0.70 eV. K and Sc preferentially occupy Na and V sites without creating charge-compensating defects. Substituting Mg at the V site can simultaneously increase Na content by forming interstitials and reducing the band gap. Additionally, doping Ti at the V site promotes the formation of Na vacancies necessary for vacancy-assisted migration, leading to a notable improvement in electronic conductivity. Full article

The ambient stability of copper oxide layers produced through thermal oxidation is a critical factor for their application in advanced photovoltaic devices. This study investigates the long-term stability of thermally grown sodium-doped copper oxides fabricated at 300 °C, 500 °C, and 700 °C. The structural, optical, and electronic properties of these oxide layers were examined after a 30-day period to understand how thermal oxidation temperature and sodium doping influence the durability and properties of copper oxide films. The results indicate that the stability of thermal copper oxide increases with oxidation temperature. The film produced at 700 °C maintained consistent optical properties, work function value, and structural integrity over time, demonstrating their robustness against environmental degradation. In contrast, the layers produced at lower temperatures (300 °C and 500 °C) showed more significant changes due to continued oxidation and adsorption from ambient. Full article

Strategies to achieve p-type behavior in semiconductor oxides are an important current topic of research. Our study showed that sodium-doped zinc oxide thin films are a plausible approach. The insertion of dopant allowed a transition between n-type p-type electrical behavior in specific temperature ranges around 300 K. Annealing procedures under controlled atmospheres, including Ar, N₂, and O₂, increased the hole density up to a magnitude of 10¹⁶ cm⁻³, although this also reduced the window temperature. The micro-photoluminescence spectra showed an enhancement of defect-related emissions as the dopant content increased. Notably, yellow-green emissions (around 2.38 eV–520 nm) were the most prominent in the as-grown samples. After annealing, a strong redshift of the defect band was observed (around 1.85 eV–670 nm). Our findings showed that p-type ZnO:Na films exhibited emissions associated with RGB primary colors. In a chromaticity diagram, as-grown samples appeared near the white range, annealed films were close to the warm white area, and O₂ annealed films trended within the red range. Full article

In this study, a feasible strategy is proposed for directly depositing high-quality Cu(In,Ga)Se₂ (CIGS) films using Na-doped targets in a selenium-free atmosphere to boost the power conversion efficiency (PCE) of CIGS solar cells. Introducing a small amount of sodium dopant effectively promoted the textured growth of CIGS crystals in the prepared films, resulting in larger grain sizes and a smoother interface. The higher MoSe₂ content at the CIGS/Mo interface increased the carrier lifetime in the films. In addition, sodium doping increased the proportion of Se atoms on the film surface and reduced the concentration of defects caused by the direct sputtering of the films in the selenium-free atmosphere. Therefore, the separation and transportation of photo-generated carriers in the devices were effectively enhanced. Using the optimized parameters, a record-high PCE of 17.26% was achieved for the 7.5% Na-doped devices, which represents an improvement of nearly 63%. Full article

In this work, electrochemical deposition techniques (galvanostatic and potentiostatic) were used to obtain coatings of a new composite polymer, 3-methylpyrrole—sodium dodecyl sulfate/poly 2-methythiophene (P3MPY-SDS/P2MT), on cobalt-based alloy samples for anti-corrosion safety. The use of sodium dodecyl sulfate as a dopant ion in electrosynthesis can have a relevant effect on the anticorrosive property of the composite polymer layer by blocking the entry of corrosive ions. The cobalt alloy specimen had an important impact on the electrochemical performance of the composite coating and this together with the presence of the polymeric layer was achieved by simultaneously constitution of a complex oxides film and polymeric layers. The polymeric coatings were analyzed using scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) spectroscopy, and cyclic voltammetry (CV) methods. The corrosion protection of the P3MPY-SDS/P2MT-covered cobalt-based alloy was explored using electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization procedures in a 1 M HCl solution. The corrosion speed of the P3MPY-SDS/P2MT-covered cobalt-based alloy was observed to be ~10 times less than an uncovered specimen, and the effectiveness of the composite layers of this coating is greater than 91%. This superior efficaciousness was obtained by the electropolymerization of P3MPY-SDS/P2MT at current densities of 1 mA/cm² and 0.5 mA/cm², applied potentials of 0.9 V and 1.0 V, and a molar ratio of 5:1. Corrosion test results indicate that the P3MPY-SDS/P2MT coatings provide a good result: protection against the corrosion of a cobalt-based alloy in aggressive solutions. Full article

Polyaniline (PANI) is a conductive polymer easily converted into a conducting state. However, its limited mechanical properties have generated interest in fabricating PANI composites with other polymeric materials. In this study, a PANI–prevulcanized latex composite film was synthesized and fabricated in two phases following chronological steps. The first phase determined the following optimum parameters for synthesizing nanosized PANI, which were as follows: an initial molar ratio of 1, a stirring speed of 600 rpm, a synthesis temperature of 25 °C, purification via filtration, and washing using dopant acid, acetone, and distilled water. The use of a nonionic surfactant, Triton X-100, at 0.1% concentration favored PANI formation in a smaller particle size of approximately 600 nm and good dispersibility over seven days of observation compared to the use of anionic sodium dodecyl sulfate. Ultraviolet–visible spectroscopy (UV-Vis) showed that the PANI synthesized using a surfactant was in the emeraldine base form, as the washing process tends to decrease the doping level in the PANI backbone. Our scanning electron microscopy analysis showed that the optimized synthesis parameters produced colloidal PANI with an average particle size of 695 nm. This higher aspect ratio explained the higher conductivity of nanosized PANI compared to micron-sized PANI. Following the chronological steps to determine the optimal parameters produced a nanosized PANI powder. The nanosized PANI had higher conductivity than the micron-sized PANI because of its higher aspect ratio. When PANI is synthesized in smaller particle sizes, it has higher conductivity. Atomic force microscopy analysis showed that the current flow is higher across a 5 µm² scanned area of nanosized PANI because it has a larger surface area. Thus, more sites for the current to flow through were present on the nanosized PANI particles. Full article

Alkali metal halides have long been used as scintillators for applications as sensors and detectors. Usually, a small amount of impurities are added to these inorganic materials to improve their luminescence efficiencies. We investigate the structures and luminescent properties of un-doped sodium iodide (NaI) and cesium-doped NaI (NaI:Cs) films deposited by thermal vacuum evaporation. Instead of using the toxic element thallium (Tl), we introduced cesium dopant into NaI. This is the first study for the NaI:Cs film excited by UV LED’s ultraviolet C (273 nm, 4.54 eV). The luminescence spectra show two main peaks at 3.05 and 4.32/3.955 eV (for fused silica/B270 substrate), originating from the intrinsic defects and/or activator excited states and the intrinsic self-trapped excitons (STEs), respectively. In general, both Cs-doping and post-annealing processes enhance the luminescence performance of NaI films. Full article

Bismuth sodium titanate (BNT)-based, lead-free piezoelectric materials have been extensively studied due to their excellent strain characteristics and environmental friendliness. In BNTs, the large strain (S) usually requires a relatively large electric field (E) excitation, resulting in a low inverse piezoelectric coefficient d₃₃* (S/E). Moreover, the hysteresis and fatigue of strain in these materials have also been bottlenecks impeding the applications. The current common regulation method is chemical modification, which mainly focuses on forming a solid solution near the morphotropic phase boundary (MPB) by adjusting the phase transition temperature of the materials, such as BNT-BaTiO₃, BNT-Bi_0.5K_0.5TiO₃, etc., to obtain a large strain. Additionally, the strain regulation based on the defects introduced by the acceptor, donor, or equivalent dopant or the nonstoichiometry has proven effective, but its underlying mechanism is still ambiguous. In this paper, we review the generation of strain and then discuss it from the domain, volume, and boundary effect perspectives to understand the defect dipole behavior. The asymmetric effect caused by the coupling between defect dipole polarization and ferroelectric spontaneous polarization is expounded. Moreover, the defect effect on the conductive and fatigue properties of BNT-based solid solutions is described, which will affect the strain characteristics. The optimization approach is appropriately evaluated while there are still challenges in the full understanding of the defect dipoles and their strain output, in which further efforts are needed to achieve new breakthroughs in atomic-level insight. Full article

In this paper, potentiostatic and galvanostatic deposition (electrochemical deposition) processes have been used for the obtained of a new composite polymer: N-methylpyrrole-sodium 1-dodecanesulfonate/poly 2-methylthiophene (PNMPY-1SSD/P2MT) coatings over brass electrode for corrosion protection. The sodium 1-dodecanesulfonate as a dopant ion employed in the electropolymerization procedure can have a meaningful effect on the anti-corrosion protection of the composite polymeric film by stopping the penetration of corrosive ions. The composite coatings have been characterized by cyclic voltammetry, Fourier transform infrared (FT-IR) spectroscopy, and scanning electron microscopy (SEM) procedures. The anti-corrosion performance of PNMPY-1SSD/P2MT coated brass has been investigated by potentiostatic and potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) practices in 0.5 M H₂SO₄ medium. The corrosion assessment of PNMPY-1SSD/P2MT coated brass was noticed to be ~9 times diminished than of uncoated brass, and the efficiency of these protective coatings of this coating is above 90%. The highest effectiveness is realized by the electrochemical deposition of PNMPY-1SSD/P2MT obtained at 1.1 V and 1.4 V potential applied and at 0.5 mA/cm² and 1 mA/cm² current densities applied in molar ratio 5:3. The outcomes of the corrosion tests denoted that PNMPY-1SSD/P2MT coatings assure good anti-corrosion protection of brass in corrosive media. Full article

BaFe₁₂O₁₉-polypyrrolenanocomposites were prepared via the in situ chemical oxidative polymerization of pyrrole monomers in the presence of BaFe₁₂O₁₉ powder, with ammonium persulfate as an oxidant and sodium dodecyl benzene sulfonate as a dopant. X-ray diffraction measurements and Fourier-transform infrared spectroscopy indicated that there were no chemical interactions between BaFe₁₂O₁₉ and polypyrrole. In addition, scanning electron microscopy showed that the composites exhibited a core–shell structure. Subsequently, the prepared nanocomposite was used as a filler to prepare a coating suitable for ultraviolet curing. The performance of the coating was investigated by evaluating its hardness, adhesion, absorbance, and resistance to acids and alkalis. Importantly, the addition of BaFe₁₂O₁₉-polypyrrole nanocomposites not only improved the coating hardness and adhesion but also produced a coating with a good microwave absorption performance. The results suggested that BaFe₁₂O₁₉/PPy composite has a lower reflection loss peak and a larger effective bandwidth at the X band when the proportion of the absorbent sample is 5–7%, when the absorption performance is the best. The reflection loss is in the range of 8.88–10.92 GHz below −10 dB. Full article

Structural imperfections, heteroatom dopants, and the interconnected pore structure of carbon materials have a huge impact on their electrochemical performance in lithium-ion and sodium-ion batteries due to the specific ion transport and the dominant storage mechanism at surface defect sites. In this work, mesopore-enriched nitrogen-doped carbon (NC) materials were produced with template-assisted chemical vapor deposition using calcium tartrate as the template precursor and acetonitrile as the carbon and nitrogen source. The chemical states of nitrogen, the volume of mesopores, and the specific surface areas of the materials were regulated by adjusting the synthesis temperature. The electrochemical testing of NC materials synthesized at 650, 750, and 850 °C revealed the best performance of the NC-650 sample, which was able to deliver 182 mA·h·g⁻¹ in sodium-ion batteries and 1158 mA·h·g⁻¹ in lithium-ion batteries at a current density of 0.05 A·g⁻¹. Our study shows the role of defect sites, including carbon monovacancies and nitrogen-terminated vacancies, in the binding and accumulation of sodium. The results provide a strategy for managing the carbon structure and nitrogen states to achieve a high alkali-metal-ion storage capacity and long cycling stability, thereby facilitating the electrochemical application of NC materials. Full article

The treatment of silted sediment in the river is a global problem. The accumulation of waste sediment will lead to an adverse impact on the environment. In this paper, the silted sediment was reused to produce geopolymer composite materials via alkali-activated gelling modification. The effects of the modifiers of sodium silicate solution, quicklime, and Na₂SO₄ admixture, and the dosage of the slag, fly ash, and silica fume admixture, and curing conditions and age, on the compressive strength and microstructure of the geopolymer-modified sediment materials were studied. The crystalline phase and hydration products of the modified sediment geopolymer composites were analyzed by X-ray diffraction (XRD) and scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS), respectively. A compressive strength test was conducted to evaluate the mechanical properties of the composites. The results showed that the type and dosage of modifier, amount of mineral admixture additive, cure conditions, and cure age had significant effects on the mechanical properties of the composites. The effect of the addition of mineral admixture on the compressive strength of the modified sediment specimens was more noticeable than that of the modifier. The compressive strength of the geopolymer-modified specimens was greatly increased by the addition of mineral dopants. When 10 wt.% silica fume is added, the compressive strength reaches a maximum value of 33.25 MPa at 60 days. The SEM-EDS results show that the C-S-H gels and C-A-S-H gels were the main hydration products. The results indicate that river siltation sediment is an excellent raw material for geopolymer-modified materials. It is feasible to produce reliable and sustainable hydraulic engineering materials by using river sediment geopolymer-modified materials. Full article