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Silicene, a two-dimensional hexagonal silicon layer, exhibits exceptional electronic and thermoelectric properties. However, its application in semiconductors is hindered by its zeroband gap, which could be overcome by modifying its electronic properties through doping. In this paper, Density Functional Theory (DFT) calculations were performed to investigate the band gap opening in silicene by studying the effect of magnesium and sulphur doping on its electronic, structural and thermal properties. Pristine silicene has a lattice constant of 3.86 Å and a zero-band gap. Upon doping with 12.5% S and Mg atoms, the lattice constant modifies to 3.45 Å and 3.93 Å, respectively, resulting in a direct band gap opening. For 25% Mg and S doping, the result shows that Mg and S effectively alter the band structure and the band gap of silicene monolayer at various configurations. The maximum band gap was 0.98 eV and 1.22 eV for Mg and S doping into the meta position to the reference point R, respectively. The power factor significantly increases with doping, reaching 1.20 x 1011 WK-2m-1 and 1.40 x 1011 WK- 2 m-1 for 12.5% Mg and S doping compared to 7.4 x 1010 WK-2m-1 for pristine silicene. This substantial enhancement indicates improved thermoelectric performance, making silicene a promising candidate for thermoelectric applications. Results demonstrate that tuning the band gap through doping can simultaneously enhance the power factor, highlighting the potential of Mg/S-doped silicene for efficient energy harvesting and conversion.

In this paper, using a scanning electron microscope (SEM) and atomic analysis, the location map of microcomposites formed on the surface of n-Si, p-Si, n-Si and p-Si samples was studied. Force microscope (AFM) research devices. The atomic fractions of inclusions of carbon, oxygen and lutetium formed on the surface of the samples were studied. Also, using the ASM device, the sizes, relief and topographic appearance of defects formed on the surface of the samples were determined. In silicon samples doped with Lu, a decrease in the size of surface defects and the formation of nano-sized structures were found, which makes it possible to obtain materials with a more perfect crystal structure. Using a ZEISS GeminiSEM 300 scanning electron microscope, the structural structure, chemical composition and images of their arrangement of n-Si, p-Si, n-Si and p-Si samples were obtained. In this case, the electron accelerating voltage was 20 kV, and the pressure in the sample chamber was (10-3 mmHg). Research results show that the structural structure of micro- and nanocomposites formed in silicon mainly depends on the diffusion time and cooling rate of the samples after diffusion annealing.

[Display omitted] • Li 3 PO 4 coating reduces the air sensitivity of single crystal Ni-rich cathode materials. • Li 3 PO 4 coating and Mg2+ doping inhibited the formation of oxygen vacancies.. • Magnesium ions modulated the structural parameters of the materials and changed the bond lengths. • A simple strategy to enhance the surface stability of single crystal Ni-rich materials is provided. In lithium-ion batteries, Ni-rich single crystal cathode material (Ni > 90 %) is a promising cathode material, but it has not yet been put into commercial application due to defects such as structural degradation, air sensitivity and thermal instability. In this paper, the residual lithium compounds on the surface of high-nickel materials are not useless. Li 3 PO 4 coated and Mg2+ doped single crystal cathode materials (SC-NCM-MP) were successfully prepared by precisely controlling the amount of MgHPO 4 by titration and reacting with lithium compounds left on the surface of LiNi 0.925 Co 0.03 Mn 0.045 O 2 (SC-NCM) cathode materials. The SC-NCM-MP samples exhibit better lattice oxygen stability, Li-ion mobility, storage performance and electrochemical performance, with a retention of 89.36 % after 100 cycles, which is much higher than 79.78 % of SC-NCM. [ABSTRACT FROM AUTHOR]

Zinc-doped cobalt nickel sulfides coupled with polypyrrole hollow nanospheres grown on carbon paper (Zn-CoNiS/PHS/CP) were developed by unipolar pulse electrodeposition (UPED) method as efficient and stable electrocatalysts for hydrogen evolution reaction (HER), oxygen evolution reaction (OER) and overall water splitting in neutral media for the first time. With abundant active sites intrigued by moderate Zn doping, the optimized Zn 10 -CoNiS delivers improved catalytic performance with small overpotentials of 213 mV and 414 mV to achieve the current densities of 10 mA cm−2 for HER and OER respectively, and outstanding long-term stability. The water electrolyzer device with Zn 10 -CoNiS as both anode and cathode delivers a current density of 10 mA cm−2 at a cell voltage of 1.896 V in neutral media. The low charge transfer resistance of Zn-CoNiS and confinement effect of 2D Ni 9 S 8 /Co 9 S 8 nanosheets on 0D ZnS nanodots endow the bifunctional electrocatalysts with efficient activity and high stability, providing a competitive candidate for green hydrogen production. [Display omitted] • Unipolar pulse electrodeposition is used to construct cation-doped bimetallic sulfide. • Zn-CoNiS shows advanced catalytic activity and high stability for both HER and OER. • Doping of Zn optimizes electronic structure and enhances conductivity of Ni 9 S 8 /Co 9 S 8. • 0D/2D confinement effect promotes long-term stability of Zn-CoNiS in neutral media. • Zn 10 -CoNiS bifunctional catalyst delivers superb overall water splitting performance. [ABSTRACT FROM AUTHOR]

As an important energy storage device, supercapacitors have been widely used in the field of energy storage. Biomass becomes an ideal source of carbon electrode material for supercapacitors due to its low cost, wide source, and environmental friendliness. In this paper, a detailed summary of the various methods of preparation and activation of biomass-derived carbon electrode materials was presented. Meanwhile, the methods of doping atoms to improve the electrochemical properties of carbon electrode materials were systematically categorized. In addition, three methods to improve the performance of supercapacitors had been summarized, i.e., the addition of organic acids to the hydrothermal carbonization process, the addition of redox additives/redox electrolytes, and the intensification of wood biochar monoliths. Some of the major application areas of supercapacitors were summarized, as well as an outlook on the future direction of supercapacitor development. This review can provide some creative insights into the study of biomass-derived carbon as an electrode material for supercapacitors. [Display omitted] • Biochar is used as electrode material for supercapacitors due to its physicochemical properties. • The doping modification methods of biochar are reviewed. • Three measures to enhance the performance of supercapacitors have been extensively analyzed. • Based on the advantages of supercapacitors, the application status in major fields is summarized. [ABSTRACT FROM AUTHOR]

In this paper, the effects of Eu, Nd doping, and Eu–Nd co-doping on the stability, magnetic and optical properties of monolayer MoS 2 are investigated by the density functional theory based on the first principle's calculations. It was found that the Eu–Nd co-doped monolayer MoS 2 is more stable than other considered doping structures. After the introduction of Eu and Nd atoms, the band gap are decreased to different degrees, indicating that the doping is favorable to the electronic jump, which might enhances the conductivity of the system. All doped systems exhibit magnetic properties. In addition, the absorption spectra of all doped systems show significant red-shift compared with those of pure monolayer MoS 2 , indicating that the doping improves the absorption capacity in visible light. These results might provide theoretical guidance for the design of novel monolayer MoS 2 semiconductor materials. • First Inner Mongolia has rich rare earth mineral resources, and rare earth elements can change the electronic structure and magnetic properties of the material, thus improving the conductivity, magnetic properties, optical properties and so on. • Secondly, MoS 2 is a popular material at the forefront, and with its special layered structure and unique properties, it is widely used in electronic devices, catalysts, biomedicine and other fields. • Finally, the band gap of monolayer MoS 2 is significantly changed after doping with rare earth elements, and there are multiple impurity energy levels (ILS) within the band gap, which is helpful for electron excited leaps. • Moreover, all doped systems showed magnetic properties. [ABSTRACT FROM AUTHOR]

Green synthesis is an easy, safe, and environmentally beneficial nanoparticle creation method. It is a great challenge to simultaneously improve the capping and stabilizing agent carrier separation efficiency of photocatalysts. Herein, Zn-doped Titanium dioxide (TiO2) nanoparticles with high exposure of 360 nm using a UV/visible spectrophotometer were prepared via a one-step hydrothermal decomposition method. A detailed analysis reveals that the electronic structures were modulated by Zn doping; thus, the responsive wavelength was extended to 600 nm, which effectively improved the visible light absorption of TiO2. We have optimized the different parameters like concentration, time, and temperature. The peak for TiO2 is located at 600 cm-1 in FTIR. A scanning electron microscope revealed that TiO2 has a definite shape and morphology. The synthesized Zn-doped TiO2NPs were applied against various pathogens to study their anti-bacterial potentials. The anti-bacterial activity of Zn-doped TiO2 has shown robust against two gram-ve bacteria (Salmonella and Escherichia coli) and two gram + ve bacteria (Staphylococcus epidermidis and Staphylococcus aureus). Synthesized Zn-doped TiO2 has demonstrated strong antifungal efficacy against a variety of fungi. Moreover, doping TiO2 nanoparticles with metal oxide greatly improves their characteristics; as a result, doped metal oxide nanoparticles perform better than doped and un-doped metal oxide nanoparticles. Compared to pure TiO2, Zn-doped TiO2 nanoparticles exhibit considerable applications including antimicrobial treatment and water purification. [ABSTRACT FROM AUTHOR]

The mass production of high-quality graphene is required for industrial application as a future electronic material. However, the chemical vapor deposition (CVD) systems previously studied for graphene production face bottlenecks in terms of quality, speed, and reproducibility. Herein, we report a novel conveyor CVD system that enables rapid graphene synthesis using liquid precursors. Pristine and nitrogen-doped graphene samples of a size comparable to a smartphone (15 cm × 5 cm) are successfully synthesized at temperatures of 900, 950, and 1000 °C using butane and pyridine, respectively. Raman spectroscopy allows optimization of the rapid-synthesis conditions to achieve uniformity and high quality. By conducting compositional analysis via X-ray photoelectron spectroscopy as well as electrical characterization, it is confirmed that graphene synthesis and nitrogen doping degree can be adjusted by varying the synthesis conditions. Testing the corresponding graphene samples as gas-sensor channels for NH3 and NO2 and evaluating their response characteristics show that the gas sensors exhibit polar characteristics in terms of gas adsorption and desorption depending on the type of gas, with contrasting characteristics depending on the presence or absence of nitrogen doping; nitrogen-doped graphene exhibits superior gas-sensing sensitivity and response speed compared with pristine graphene. [ABSTRACT FROM AUTHOR]

The increasing need for wearable and portable electronics and the necessity to provide a continuous power supply to these electronics have shifted the focus of scientists toward harvesting energy from ambient sources. Harvesting energy from ambient sources, including solar, wind, and mechanical energies, is a solution to meet rising energy demands. Furthermore, adopting lightweight power source technologies is becoming more decisive in choosing renewable energy technologies to power novel electronic devices. In this regard, piezoelectric nanogenerators (PENGs) based on polymer composites that can convert discrete and low-frequency irregular mechanical energy from their surrounding environment into electricity have attracted keen attention and made considerable progress. This review highlights the latest advancements in this technology. First, the working mechanism of piezoelectricity and the different piezoelectric materials will be detailed. In particular, the focus will be on polymer composites filled with lead-free BaTiO3 piezoceramics to provide environmentally friendly technology. The next section will discuss the strategies adopted to enhance the performance of BaTiO3-based polymer composites. Finally, the potential applications of the developed PENGs will be presented, and the novel trends in the direction of the improvement of PENGs will be detailed. [ABSTRACT FROM AUTHOR]

Rhodamine B (RhB) is a harmful dye released by industrial wastewaters, thus necessitating its urgent removal. Advanced oxidation processes constitute promising strategies to purify polluted water. Among others, photocatalysis relies on reactive oxygen species (ROS) produced by photocatalytic particles, typically semiconductors like titania or zinc oxide (ZnO), excited by solar or UV–Vis light. However, their wide band gap limits their catalytic capabilities within the absorption of the UV spectrum and causes fast electron–hole recombination. This study presents novel strategies to overcome these limitations: (i) doping semiconductors to increase photocatalytic efficiency; (ii) sensitization-mediated photocatalysis for visible light activation using chemical moieties to trap dye molecules; (iii) nanosizing the photocatalysts to enhance the surface area. ZnO nanoparticles, doped with iron or gadolinium and capped with oleic acid are here synthesized and tested in RhB dye solutions. Remarkably, the results demonstrate an ultra-fast RhB degradation, driven by oleic acid having crucial role in dye adsorption. The degradation mechanisms, including ROS-induced N-deethylation and xanthene group cleavage, are also unraveled. These findings underscore the efficacy of the proposed semiconductor photocatalyst design, highlighting a significant advancement with extensive potential applications in wastewater remediation. This innovative approach paves the way for more efficient and practical solutions to combat industrial dye pollution. [ABSTRACT FROM AUTHOR]

This study investigated the viability of Hf and/or W doping in Li7La3Zr2O12 (LLZO) through an alkoxide derived sol-gel process aimed at stabilizing the ion-conductive cubic garnet phase. Results revealed that Hf doping tends to favor the tetragonal garnet phase, while co-doping with Hf and W effectively stabilizes the cubic garnet structure. This stabilization is attributed to the similar ionic radii of Hf4+ (0.71 Å) and the slightly smaller W6+ (0.62 Å) compared to Zr4+ (0.72 Å), considering charge neutrality. In both doping scenarios, a coexisting Li-deficient pyrochlore phase is observed, likely due to the use of HfCl4 and WCl6 as starting reagents in the alkoxide process, which results in reduced Li-coordinated carboxyl sites attached to chelated Zr alkoxide. However, increasing the Li excess content above 30% effectively eliminates the pyrochlore phase, thus stabilizing the cubic garnet phase. Impedance measurements conducted on Hf-doped LLZO and Hf,W co-doped LLZO (with 40% excess Li) sintered ceramics reveal a significant enhancement in bulk ion conductivity, with the Hf,W co-doped LLZO pellet exhibiting two orders of magnitude higher conductivity (1.09 × 10−4 S cm−1). This finding confirms the stability of the cubic phase even with partial substitution of W and with 40% excess Li. [ABSTRACT FROM AUTHOR]

Biosynthesis of nanoparticles included many strategies including attractive methods using a fungal medium as reducing and a capping mediator. Creation of nontoxic metal nanoparticles (NPs) pushes these materials to use a high-efficiency broad spectrum in many fields. Some problems are associated to the limited stability besides cytotoxic properties of some NPs in the biological and environmental systems; doping considered a promising solution to overcome these problems. During this investigation, green and ecofriendly synthesis approach was applied to prepare zinc oxide NP-doped selenium oxide (ZnO@SeO) NPs via mycosynthesis using Alternaria alternata. The produced ZnO@SeO NPs were characterized via physiochemical techniques including both transmission and scan electron microscope, UV-visible, X-ray diffraction, attenuated total reflectance-Fourier transform infrared, energy dispersive X-ray analyses, and dynamic light scattering. The mycosyntheis ZnO@SeO NPs were performed as a nanostructure with a size around 50 nm. Moreover, the NP formula exhibited an excellent homogeneity and stability that offered this formula to use in many applications with high performance and low aggregation ability. Great inhibitory activity of ZnO@SeO NPs was documented with inhibitory zone 28.33 mm against Staphylococcus aureus, 27.33 mm against Bacillus subtilis, 27.67 mm against Bacillus cereus, 27.17 mm against Pseudomonas aeruginosa, 27.5 mm against Escherichia coli, 24.33 mm against Salmonella typhi, 23.33 mm against Candida albicans, and 18.17 mm against Aspergillus niger compared to undoped ZnONPs or antibiotic/antifungal. Less effectiveness of ZnO@SeO NPs was observed on normal cells (Vero cell line CCL-81) compared with ZnONPs, while more effectiveness was observed on cancerous cell lines MCF7. ZnO@SeO NPs were more effective for methylene blue photodegradation than undoped ZnONPs with 83.1% and 35.1%, respectively at 300 min. [ABSTRACT FROM AUTHOR]

This study explores the comprehensive characterization of Y3+ and Co2+ co-substituted LaFeO3 nanoparticles synthesized via the sol-gel auto-combustion method. The synthesized samples, La1-xYxFe1-y CoyO3 (x = 0,0.10 and y = 0,0.03,0.05,0.07) were characterized by employing various techniques such as x-ray diffraction (XRD), Scanning Electron Microscopy (SEM) with EDX, Raman spectroscopy, UV-visible spectroscopy, and Vibrating Sample Magnetometry (VSM). The Raman and XRD analysis, supported by Rietveld refinement, provided conclusive evidence of a pure orthorhombic LaFeO3 phase. Microstructural studies unveiled an agglomerate-type, irregular particle distribution, while EDX analysis confirmed the elemental composition. The XPS study gives evidence about the presence of both Fe2+ and Fe3+ oxidation states, and Co has a Co3+ oxidation state. UV-vis spectroscopy demonstrated enhanced visible light absorption, revealing a reduced bandgap with increasing doping percentages. VSM measurements exhibited M-H loops, substantiating the weak ferromagnetic nature of the materials. Moreover, these nanoparticles exhibit dielectric constants and low dielectric losses, making them suitable for use in devices for communication. Overall, these findings may offer valuable contributions to the understanding of nanomaterial characteristics for potential applications in diverse fields. Research Highlights: Synthesis of La1-xYxFe1-y CoyO3 (x = 0,0.10 & y = 0,0.03,0.05,0.07) nanoparticles by sol-gel method. Confirmation of orthorhombic structure with Pbnm space group from XRD, Rietveld and Raman analysis with a decrease in crystallite size from 48 to 12 nm. Disclosement of the presence of both Fe2+ and Fe3+ oxidation states and Co doping has a Co2+ oxidation state from XPS analysis. The bandgap tuning from 2.09 to 1.56 eV with an increase in Co2+ doping concentrations. Weak ferromagnetic behavior observed for all the NPs. Enhanced Ms, Mr, and Hc for the 7% Co2+ doped LFO. The 7% Co2+ doped LFO exhibited the highest dielectric constant, lowest tangent loss and highest conductivity. [ABSTRACT FROM AUTHOR]

Hydrogen evolution reaction (HER) stands out among conventional hydrogen production processes by featuring excellent advantages. However, the uncompetitive production cost due to the low energy efficiency has hindered its development, necessitating the introduction of cost-effective electrocatalysts. In this study, we introduced samarium doping as a high-potential approach to improve the electrocatalytic properties of nickel phosphide (Ni2P) for efficient HER. Samarium-doped Ni2P was synthesized via a facile two-step vapor–solid reaction technique. Different physical and electrochemical analyses showed that samarium doping significantly improved pure Ni2P characteristics, such as particle size, specific surface area, electrochemical hydrogen adsorption, intrinsic activity, electrochemical active surface area, and charge transfer ability in favor of HER. Namely, Ni2P doped with 3%mol of samarium (Sm0.03Ni2P) with a Tafel slope of 67.8 mV/dec. and overpotential of 130.6 mV at a current density of 10 mA/cm2 in 1.0 M KOH solution exhibited a notable performance, suggesting Sm0.03Ni2P and samarium doping as a remarkable electrocatalyst and promising promoter for efficient HER process, respectively. [ABSTRACT FROM AUTHOR]

Ostarine (enobasarm) is a selective androgen receptor modulator with great therapeutic potential. However, it is also used by athletes to promote muscle growth and enhance performances without the typical adverse effects of anabolic steroids. Ostarine popularity increased in recent years, and it is currently the most abused "other anabolic agent" (subclass S1.2. of the "anabolic agents" class S1) from the World Anti-Doping Agency's (WADA) prohibited list. Several cases of liver toxicity were recently reported in regular users. Detecting ostarine or markers of intake in biological matrices is essential to document ostarine use in doping. Therefore, we sought to investigate ostarine metabolism to identify optimal markers of consumption. The substance was incubated with human hepatocytes, and urine samples from six ostarine-positive cases were screened. Analyses were performed via liquid chromatography–high-resolution tandem mass spectrometry (LC-HRMS/MS) and software-assisted data mining, with in silico metabolite predictions. Ten metabolites were identified with hydroxylation, ether cleavage, dealkylation, O-glucuronidation, and/or sulfation. The production of cyanophenol-sulfate might participate in the mechanism of ostarine liver toxicity. We suggest ostarine-glucuronide (C25H22O9N3F3, diagnostic fragments at m/z 118, 185, and 269) and hydroxybenzonitrile-ostarine-glucuronide (C25H22O10N3F3, diagnostic fragments at m/z 134, 185, and 269) in non-hydrolyzed urine and ostarine and hydroxybenzonitrile-ostarine (C19H14O4N3F3, diagnostic fragments at m/z 134, 185, and 269) in hydrolyzed urine as markers to document ostarine intake in doping. [ABSTRACT FROM AUTHOR]

Weak doping can broaden, shift, and quench plasmon peaks in nanoparticles, but the mechanistic intricacies of the diverse responses to doping remain unclear. In this study, we used the time-dependent density functional theory (TD-DFT) to compute the excitation properties of transition-metal Pd- or Pt-doped gold and silver atomic arrays and investigate the evolution characteristics and response mechanisms of their plasmon peaks. The results demonstrated that the Pd or Pt doping of the off-centered 10 × 2 atomic arrays broadened or shifted the plasmon peaks to varying degrees. In particular, for Pd-doped 10 × 2 Au atomic arrays, the broadened plasmon peak significantly blueshifted, whereas a slight red shift was observed for Pt-doped arrays. For the 10 × 2 Ag atomic arrays, Pd doping caused almost no shift in the plasmon peak, whereas Pt doping caused a substantial red shift in the broadened plasmon peak. The analysis revealed that the diversity in these doping responses was related to the energy positions of the d electrons in the gold and silver atomic clusters and the positions of the doping atomic orbitals in the energy bands. The introduction of doping atoms altered the symmetry and gap size of the occupied and unoccupied orbitals, so multiple modes of single-particle transitions were involved in the excitation. An electron transfer analysis indicated a close correlation between excitation energy and the electron transfer of doping atoms. Finally, the differences in the symmetrically centered 11 × 2 doped atomic array were discussed using electron transfer analysis to validate the reliability of this analytical method. These findings elucidate the microscopic mechanisms of the evolution of plasmon peaks in doped atomic clusters and provide new insights into the rational control and application of plasmons in low-dimensional nanostructures. [ABSTRACT FROM AUTHOR]

In this work, new sensitive thermal sensors based on Si and Si were developed. Single-crystal n- and p-type silicon samples doped with phosphorus and boron during growth were used for the study. These samples were first doped with platinum and palladium, then subjected to ohmic contact with nickel. To manufacture temperature sensors based on n-Si˂Pd˃ and obtain an ohmic contact, this material was subjected to appropriate mechanical and chemical treatments. Metallic nickel with a thickness d = 1 μm was chemically deposited on its surface, followed by thermal annealing in a vacuum at T = 400-450℃ for t = 10 - 15 minutes. To compare the created temperature sensors, a special measuring device, a thermostat, was developed to ensure uniform heat transfer. [ABSTRACT FROM AUTHOR]

This study explores highly efficient waveguide detectors for Si/SiGe lasers utilizing Si1-x-y GexCy. By precisely tailoring properties such as temperature, structure, composition, thickness, and doping, we aim to reduce light losses and improve performance by increasing light overlap with the active region. This approach overcomes Si/SiGe lattice mismatch limitations, especially in medium and high germanium SiGe. Incorporating carbon (C) into Si1-x-y GexCy enables perfect light detection and improved confinement, addressing a major challenge in diode lasers. The proposed detector design comprises an active zone sandwiched between lightly doped silicon layers (Si(n) and Si(p)) and heavily doped confinement layers (Si1- xGex (n+) and Si1-xGex (p+)). We study three Si1-x-y GexCycompositions (Si0.675Ge0.3C0.025, Si0.74Ge0.25- C0.01 and Si0.79Ge0.2C0.01) with absorption wavelengths of 1.42 µm, 1.35 µm, and 1.29 µm, respectively, and active layer thicknesses ranging from 150-600 nm. For each design, we propose an optimized waveguide structure with appropriate doping. [ABSTRACT FROM AUTHOR]

To meet the current demand for lead-free piezoelectric ceramics, a novel sol-gel synthesis route is presented for the preparation of Ba0.85Ca0.15Ti0.9Zr0.1O3 doped with cerium (Ce = 0, 0.01, and 0.02 mol%) and vanadium (V = 0, 0.3, and 0.4 mol%). X-ray diffraction patterns reveal the formation of a perovskite phase (space group P4mm) for all samples after calcination at 800 °C and sintering at 1250, 1350, and 1450 °C, where it is proposed that both dopants occupy the B site. Sintering studies show that V doping allows the sintering temperature to be reduced to at least 1250 °C. Undoped BCZT samples sintered at the same temperature show reduced functional properties compared to V-doped samples, i.e., d33 values increase by an order of magnitude with doping. The dissipation factor tan δ decreases with increasing sintering temperature for all doping concentrations, while the Curie temperature TC increases for all V-doped samples, reaching 120 °C for high-concentration co-doped samples. All results indicate that vanadium doping can facilitate the processing of BCZT at lower sintering temperatures without compromising performance while promoting thermal property stability. [ABSTRACT FROM AUTHOR]

This work highlights the novel approach of incorporating potassium iodide (KI) doping during the synthesis of In0.53P0.47 core quantum dots (QDs) to significantly reduce the concentration of vacancies (i.e., In vacancies; VIn−) within the bulk of the core QD and inhibit the formation of InPOx at the core QD–Zn0.6Se0.4 shell interfaces. The photoluminescence quantum yield (PLQY) of ~97% and full width at half maximum (FWHM) of ~40 nm were achieved for In0.53P0.47/Zn0.6Se0.4/Zn0.6Se0.1S0.3/Zn0.5S0.5 core/multi-shell QDs emitting red light, which is essential for a quantum-dot organic light-emitting diode (QD-OLED) without red, green, and blue crosstalk. KI doping eliminated VIn− in the core QD bulk by forming K+-VIn− substitutes and effectively inhibited the formation of InPO4(H2O)2 at the core QD–Zn0.6Se0.4 shell interface through the passivation of phosphorus (P)-dangling bonds by P-I bonds. The elimination of vacancies in the core QD bulk was evidenced by the decreased relative intensity of non-radiative unpaired electrons, measured by electron spin resonance (ESR). Additionally, the inhibition of InPO4(H2O)2 formation at the core QD and shell interface was confirmed by the absence of the {210} X-ray diffraction (XRD) peak intensity for the core/multi-shell QDs. By finely tuning the doping concentration, the optimal level was achieved, ensuring maximum K-VIn− substitution, minimal K+ and I− interstitials, and maximum P-dangling bond passivation. This resulted in the smallest core QD diameter distribution and maximized optical properties. Consequently, the maximum PLQY (~97%) and minimum FWHM (~40 nm) were observed at 3% KI doping. Furthermore, the color gamut of a QD-OLED display using R-, G-, and B-QD functional color filters (i.e., ~131.1%@NTSC and ~98.2@Rec.2020) provided a nearly perfect color representation, where red-light-emitting KI-doped QDs were applied. [ABSTRACT FROM AUTHOR]

On the basis of first principles, the effect of sulfur (S) defects on the photoelectric and magnetic properties of transition metal, alkali metal, and rare earth element doped CrS2 systems is studied. The modification of certain atoms reduces the formation energy of the CrS2 system under S vacancy defects (VS), resulting in a more stable defect structure. Studies of the electronic structure of monolayer CrS2 reveal that it possesses magnetic metal properties. By substituting Cr atoms, the transition metal (TM) is incorporated into the system, and magnetic modulation is achieved. Magnetic semi-metallic properties are exhibited by both the VS-deficient system and the mixed system of VS-deficient monolayer CrS2 doped with Mn, V, and Fe atoms, respectively. The bandgap is effectively opened for the Ni-doped VS hybrid system, and the system exhibits magnetic semiconductor properties. The optical properties demonstrate that the optical response range of La-doped materials has been significantly expanded and can be employed effectively in both the infrared and visible spectra. In varying degrees, the dopant atoms enhanced the optical properties of the VS system in the infrared light spectrum. The aforementioned findings open up new avenues for the design and experimental investigation of this material, in particular, optoelectronic materials and spin devices. [ABSTRACT FROM AUTHOR]

In this work, flexible Cu2−xS films on nylon membranes are prepared by combining a simple hydrothermal synthesis and vacuum filtration followed by hot pressing. The films consist of Cu2S and Cu1.96S two phases with grain sizes from nano to submicron. Doping Se on the S site not only increases the Cu1.96S content in the Cu2−xS to increase carrier concentration but also modifies electronic structure, thereby greatly improves the electrical properties of the Cu2−xS. Specifically, an optimal composite film with a nominal composition of Cu2−xS0.98Se0.02 exhibits a high power factor of ~150.1 μW m−1 K−2 at 300 K, which increases by ~138% compared to that of the pristine Cu2−xS film. Meanwhile, the composite film shows outstanding flexibility (~97.2% of the original electrical conductivity is maintained after 1500 bending cycles with a bending radius of 4 mm). A four-leg flexible thermoelectric (TE) generator assembled with the optimal film generates a maximum power of 329.6 nW (corresponding power density of 1.70 W m−2) at a temperature difference of 31.1 K. This work provides a simple route to the preparation of high TE performance Cu2−xS-based films. [ABSTRACT FROM AUTHOR]

Interest in psychosocial predictors of doping has been increasing as a way of finding new approaches to reduce the use of performance-enhancing drugs. This investigation aimed to test the psychometric properties of an instrument to assess doping attitudes in Brazilian athletes. The PEAS was validated in Brazilian sports through a process of translation, back-translation and content validity assessment, presenting satisfactory evidence based on its content (CVC > 0.80). Then, 994 athletes from different sexes, types of sports and competitive levels answered the Brazilian version of the PEAS. The results showed satisfactory evidence of validity based on its response process, internal structure (X2/df = 2.04; RMSEA = 0.032 (0.026–0.038); CFI = 0.96; TLI = 0.95) and reliability (Cronbach's α, McDonald's ω and CR > 0.70). Network analysis was also used to further explore the PEAS's internal structure. Overall, the results provide support for the adoption of the PEAS for Brazilian athletes and possibly other Portuguese-speaking countries. [ABSTRACT FROM AUTHOR]