In this work, a series of BaTiO3-based ceramic materials, Ba(Al0.5Nb0.5)xTi1-xO3 (x = 0, 0.04, 0.06, 0.08), were synthesized using a standard solid-state reaction technique. X-ray diffraction profiles indicated that the Al+Nb co-doping into BaTiO3 does not change the crystal structure significantly with a doping concentration up to 8 %. The doping ions exist in Al3+ and Nb5+ chemical states, as revealed by X-ray photoelectron spectroscopy. The frequencydependent complex dielectric properties and electric modulus were studied in the temperature range of 100~380 K. A colossal dielectric permittivity (>1.5 × 104) and low dielectric loss (<0.01) were demonstrated at the optimal dopant concentration x = 0.04. The observed dielectric behavior of Ba(Al0.5Nb0.5)xTi1-xO3 ceramics can be attributed to the Universal Dielectric Response. The complex electric modulus spectra indicated the grains exhibited a significant decrease in capacitance and permittivity with increasing co-doping concentration. Our results provide insight into the roles of donor and acceptor co-doping on the properties of BaTiO3-based ceramics, which is important for dielectric and energy storage applications.

In this work, we have designed a novel gas inlet structure for efficient usage of growth and doping precursors. Our previous gas injection configuration is that the gas is mixed to one pipe first, then divided into two pipes, and finally entered the chamber symmetrically above the substrate without a jet nozzle. The distance between gas inlet and substrate is about 14.75 cm. Our new design is to add a new tube in the center of the susceptor, and the distance between the new tube and substrate is about 0.5 cm. In this new design, different gas injection configurations have been planned such that the gas flow in the reactor aids the transport of reaction species toward the sample surface, expecting the utilization efficiency of the precursors being improved in this method. Experiments have shown that a high doping efficiency and fast growth could be achieved concurrently in diamond growth when methane and diborane come from this new inlet, demonstrating a successful implementation of the design to a diamond microwave plasma chemical vapor deposition system. Compared to our previous gas injection configuration, the growth rate increases by 15-fold and the boron concentration increases by ~ 10 times. COMSOL simulation has shown that surface reaction and precursor supply both have a change in determining the growth rate and doping concentration. The current results could be further applied to other dopants for solving the low doping efficiency problems in ultra-wide-band-gap semiconductor materials.

Lead-free perovskite ceramics, which have excellent energy storage capabilities, are attracting attention owing to their high power density and rapid charge-discharge speed. Given that the energy-storage properties of perovskite ceramic capacitors are significantly improved by doping with various elements, modifying their chemical compositions is a fundamental strategy. This study investigated the effect of Zn doping on the microstructure and energy storage performance of potassium sodium niobate (KNN)-based ceramics. Two types of powders and their corresponding ceramics with compositions of (1-x)(K,Na)NbO3-xBi(Ni2/3Ta1/3)O3 (KNN-BNT) and (1-x)(K,Na)NbO3-xBi(Ni1/3Zn1/3Ta1/3) O3 (KNN-BNZT) were prepared via solid-state reactions. The results indicate that Zn doping retards grain growth, resulting in smaller grain sizes in Zn-doped KNN-BNZT than in KNN-BNT ceramics. Moreover, the Zn-doped KNNBNZT ceramics exhibited superior energy storage density and efficiency across all x values. Notably, 0.9KNN-0.1BNZT ceramics demonstrate an energy storage density and efficiency of 0.24 J/cm3 and 96%, respectively. These ceramics also exhibited excellent temperature and frequency stability. This study provides valuable insights into the design of KNNbased ceramic capacitors with enhanced energy storage capabilities through doping strategies.

As a promising anode for sodium-ion batteries (SIBs), cobalt sulfide ( CoS2) has attracted extensive attention due to its high theoretical capacity, easy preparation, and superior electrochemical activity. However, its intrinsic low conductivity and large volume expansion result in poor cycling ability. Herein, nitrogen-doped carbon-coated CoS2 nanoparticles (N–C@ CoS2) were prepared by a C3N4 soft-template-assisted method. Carbon coating improves the conductivity and prevents the aggregation of CoS2 nanoparticles. In addition, the C3N4 template provides a porous graphene-like structure as a conductive framework, affording a fast and constant transport path for electrons and void space for buffering the volume change of CoS2 nanoparticles. Benefitting from the superiorities, the Na-storage properties of the N–C@CoS2 electrode are remarkably boosted. The advanced anode delivers a long-term capacity of 376.27 mAh g− 1 at 0.1 A g− 1 after 500 cycles. This method can also apply to preparing other metal sulfide materials for SIBs and provides the relevant experimental basis for the further development of energy storage materials.

This study assessed the influences of fluorine introduced into DLC films on the structural and mechanical properties of the sample. In addition, the effects of the fluorine incorporation on the compressive stress in DLC films were investigated. For this purpose, fluorinated diamond-like carbon (F-DLC) films were deposited on cobalt-chromium-molybdenum substrates using radio-frequency plasma-enhanced chemical vapor. The coatings were examined by Raman scattering (RS), Attenuated total reflectance Fourier transform infrared spectroscopic analysis (ATR-FTIR), and a combination of elastic recoil detection analysis and Rutherford backscattering (ERDA-RBS). Nano-indentation tests were performed to measure hardness. Also, the residual stress of the films was calculated by the Stony equation. The ATR-FTIR analysis revealed that F was present in the amorphous matrix mainly as C-F and C-F2 groups. Based on Raman spectroscopy results, it was determined that F made the DLC films more graphitic. Additionally, it was shown that adding F into the DLC coating resulted in weaker mechanical properties and the F-DLC coating exhibited lower stress than DLC films. These effects were attributed to the replacement of strong C = C by feebler C-F bonds in the F-DLC films. F-doping decreased the hardness of the DLC from 11.5 to 8.8 GPa. In addition, with F addition, the compressive stress of the DLC sample decreased from 1 to 0.7 GPa.

Hydroxyl radical (OH radical) is the most harmful free radical amongst the Reactive Oxygen Species (ROS) responsible for numerous diseases of DNA damage like mutagenesis, carcinogenesis and ageing. Therefore, it is important to find a suitable scavenger for OH radical. In the present contribution, we aim to investigate the ability of pristine armchair-SWCNT and B/N/P-doped armchair-SWCNT to scavenge OH radicals using DFT calculations. The calculations reveal that the B/Pdoped armchair-SWCNTs can act as a better scavenger for OH radical compared to pristine armchair-SWCNT but N-doped armchair-SWCNT does not act as a better scavenger for OH radical compared to pristine armchair-SWCNT. Furthermore, the developed scavenger is examined in terms of large-scale availability, biocompatibility, conductivity, stability and reactivity. For both in vivo and in vitro studies, the work is found to useful for enhancing SWCNT as a free radical scavenger.

Yttria-stabilized zirconia (YSZ) has a low thermal conductivity, high thermal expansion coefficient, and excellent mechanical properties; thus, it is used as a thermal barrier coating material for gas turbines. However, during long-time exposure of YSZ to temperatures of 1200oC or higher, a phase transformation accompanied by a volume change occurs, causing the YSZ coating layer to peel off. To solve this problem, YSZ has been doped with trivalent and tetravalent oxides to obtain coating materials with low thermal conductivity and suppressed phase transformation of zirconia. In this study, YSZ is doped with trivalent oxides, Nd2O3, Yb2O3, Al2O3, and tetravalent oxide, TiO2, and the thermal conductivity of the obtained materials is analyzed according to the composition; furthermore, the relative density change, microstructure change, and m-phase formation behavior are analyzed during long-time heat treatment at high temperatures.

Here, we have demonstrated the successful exfoliation of graphite into a layered material with scotch tape-like exfoliation. Sulfur acts as an exfoliating agent and exfoliates the loosely bounded graphite stacks. The shear force by ball milling provides the force required to overcome the van der Waals force between the layers. The MnO2 nanorods were synthesized using a KMnO4 precursor in a hydrothermal arrangement, and due to their intrinsic chemisorption capability, they were doped for polysulfide trapping. With an initial capacity of 1150 mAh/g achieved by the MnO2 nanorod-doped exfoliate-graphite/sulfur composite material, the material has displayed its application in lithium–sulfur batteries, but its use is not limited; it can be a low-cost eco-friendly solution to various energy storage systems with extensive structural qualities.

Cu-doped ZnSe quantum dots were successfully synthesized in an aqueous solution using an internal doping method. The effects of ligand type, CuSe synthesis temperature, and heating time on Cu-doped ZnSe synthesis were systematically investigated. Of MPA, GSH, TGA, and NAC used as ligands, MPA was the optimal ligand as determined by PL spectrum analysis. In addition, the emission wavelength was found to depend on the synthesis temperature of the internal doping core of CuSe. As the temperature increased, the doping of Cu2+ was enhanced, and the emission wavelength band was redshifted; accordingly, the emission peaks moved from blue to green (up to 550 nm). Thus, the synthesis of Cu:ZnSe using internal doping in aqueous solutions is a potential method for ecomanufacturing of colortuned ZnSe quantum dots for display applications.

Extensive research is being carried out on Ni-rich Li(NixCoyMn1-x-y)O2 (NCM) due to the growing demand for electric vehicles and reduced cost. In particular, Ni-rich Li(NixCoyMn1-x-y-zAlz)O2 (NCMA) is attracting great attention as a promising candidate for the rapid development of Co-free but electrochemically more stable cathodes. Al, an inactive element in the structure, helps to improve structural stability and is also used as a doping element to improve cycle capability in Ni-rich NCM. In this study, NCMA was successfully synthesized with the desired composition by direct coprecipitation. Boron and tin were also used as dopants to improve the battery performance. Macro- and microstructures in the cathodes were examined by microscopy and X-ray diffraction. While Sn was not successfully doped into NCMA, boron could be doped into NCMA, leading to changes in its physicochemical properties. NCMA doped with boron revealed substantially improved electrochemical properties in terms of capacity retention and rate capability compared to the undoped NCMA.

Zintl phase Mg3Sb2 is a promising thermoelectric material in medium to high temperature range due to its low band gap energy and characteristic electron-crystal phonon-glass behavior. P-type Mg3Sb2 has conventionally exhibited lower thermoelectric properties compared to its n-type counterparts, which have poor electrical conductivity. To address these problems, a small amount of Sn doping was considered in this alloy system. P-type Mg3Sb2 was synthesized by controlled melting, pulverizing, and subsequent vacuum hot pressing (VHP) method. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were used to investigate phases and microstructure development during the process. Single phase Mg3Sb2 was successfully formed when 16 at.% of Mg was excessively added to the system. Nominal compositions of Mg3.8Sb2-xSnx (0 ≤ x ≤ 0.008) were considered in this study. Thermoelectric properties were evaluated in terms of Seebeck coefficient, electrical conductivity, and thermal conductivity. A peak ZT value ≈ 0.32 was found for the specimen Mg3.8Sb1.994Sn0.006 at 873 K, showing an improved ZT value compared to intrinsic one. Transport properties were also evaluated and discussed.

The effect of Sm2O3 doping on the microstructure and electrical properties of the ZPCCA-based varistors is comprehensively investigated. The increase of doping content of Sm2O3 results in better densification (from 5.70 to 5.82 g/cm3) and smaller mean grain size (from 7.8 to 4.1 μm). The breakdown electric field increases significantly from 2568 to 6800 V/ cm as the doping content of Sm2O3 increases. The doping of Sm2O3 remarkably improves the nonlinear properties (increasing from 23.9 to 91 in the nonlinear coefficient and decreasing from 35.2 to 0.2 μA/cm2 in the leakage current density). Meanwhile, the doping of Sm2O3 reduces the donor concentration (the range of 2.73 X 1018 to 1.18 X 1018 cm-3) of bulk grain and increases the barrier height (the range of 1.10 to 1.49 eV) at the grain boundary. The density of the interface states decreases in the range of of 5.31 X 1012 to 4.08 X 1012 cm-2 with the increase of doping content of Sm2O3. The dielectric constant decreases from 1594.8 to 507.5 with the increase of doping content of Sm2O3.

A high NIR-reflective black pigment is developed by Mn doping of Fe2O3. The pigment powders are prepared by spray pyrolysis, and the effect of the Mn concentration on the blackness and optical properties is investigated. Mn doping into the crystal lattice of -Fe2O3 is found to effectively change the powder color from red to black, lowering the NIR reflectance compared to that of pure Fe2O3. The pigment doped with 10% Mn, i.e., Fe1.8Mn0.2O3, exhibits a black color with an optical bandgap of 1.3 eV and a Chroma value of 1.14. The NIR reflectance of the prepared Fe1.8Mn0.2O3 black pigment is 2.2 times higher than that of commercially available carbon black, and this material is proven to effectively work as a cool pigment in a temperature rise experiment under near-infrared illumination.

The two key variables of an Si solar cell, i.e., emitter (n-type window layer) and base (p-type substrate) doping levels or concentrations, are studied using Medici, a 2-dimensional semiconductor device simulation tool. The substrate is ptype and 150 μm thick, the pn junction is 2 μm from the front surface, and the cell is lit on the front surface. The doping concentration ranges from 1 × 1010 cm−3 to 1 × 1020 cm−3 for both emitter and base, resulting in a matrix of 11 by 11 or a total of 121 data points. With respect to increasing donor concentration (Nd) in the emitter, the open-circuit voltage (Voc) is little affected throughout, and the short-circuit current (Isc) is affected only at a very high levels of Nd, exceeding 1 × 1019 cm−3, dropping abruptly by about 12%, i.e., from Isc = 6.05 × 10−9 A·μm−1, at Nd = 1 × 1019 cm−3 to Isc = 5.35 × 10−9 A·μm−1 at Nd = 1 × 1020 cm−3, likely due to minority-carrier, or hole, recombination at the very high doping level. With respect to increasing acceptor concentration (Na) in the base, Isc is little affected throughout, but Voc increases steadily, i.e, from Voc = 0.29 V at Na = 1 × 1012 cm−3 to 0.69 V at Na = 1 × 1018 cm−3. On average, with an order increase in Na, Voc increases by about 0.07 V, likely due to narrowing of the depletion layer and lowering of the carrier recombination at the pn junction. At the maximum output power (Pmax), a peak value of 3.25 × 10−2 W· cm−2 or 32.5 mW· cm−2 is observed at the doping combination of Nd = 1 × 1019 cm−3, a level at which Si is degenerate (being metal-like), and Na = 1 × 1017 cm−3, and minimum values of near zero are observed at very low levels of Nd ≤ 1 × 1013 cm−3. This wide variation in Pmax, even within a given kind of solar cell, indicates that selecting an optimal combination of donor and acceptor doping concentrations is likely most important in solar cell engineering.

In the present investigation we show the effect of Al doping on the length, size, shape, morphology, and sensing property of ZnO nanorods. Effect of Al doping ultimately leads to tuning of electrical and optical properties of ZnO nanorods. Undoped and Al-doped well aligned ZnO nanorods are grown on sputtered ZnO/SiO2/Si (100) pre-grown seed layer substrates by hydrothermal method. The molar ratio of dopant (aluminium nitrate) in the solution, [Al/Zn], is varied from 0.1 % to 3 %. To extract structural and microstructural information we employ field emission scanning electron microscopy and X-ray diffraction techniques. The prepared ZnO nanorods show preferred orientation of ZnO <0001> and are well aligned vertically. The effects of Al doping on the electrical and optical properties are observed by Hall measurement and photoluminescence spectroscopy, respectively, at room temperature. We observe that the diameter and resistivity of the nanorods reach their lowest levels, the carrier concentration becomes high, and emission peak tends to approach the band edge emission of ZnO around 0.5% of Al doping. Sensing behavior of the grown ZnO nanorod samples is tested for H2 gas. The 0.5 mol% Al-doped sample shows highest sensitivity values of ~ 60 % at 250 ˚C and ~ 50 % at 220 ˚C.

Due to its favorable optical properties, Cu2SnS3 (CTS) is a promising material for thin film solar cells. Doping, which modifies the absorber properties, is one way to improve the conversion efficiency of CTS solar cells. In this work, CTS solar cells with selenium doping were fabricated on a flexible substrate using sputtering method and the effect of doping on the properties of CTS solar cells was investigated. In XRD analysis, a shift in the CTS peaks can be observed due to the doped selenium. XRF analysis confirmed the different ratios of Cu/Sn and (S+Se)/(Cu+Sn) depending on the amount of selenium doping. Selenium doping can help to lower the chemical potential of sulfur. This effectively reduces the point defects of CTS thin films. Overall improved electrical properties were observed in the CTS solar cell with a small amount of selenium doping, and a notable conversion efficiency of 1.02 % was achieved in the CTS solar cell doped with 1 at% of selenium.

The gas response characteristic toward C2H5OH has been demonstrated in terms of copper-vacancy concentration, hole density, and microstructural factors for undoped/Li(I)-doped CuO thin films prepared by sol-gel method. For the films, both concentrations of intrinsic copper vacancies and electronic holes decrease with increasing calcination temperature from 400 to 500 to 600 oC. Li(I) doping into CuO leads to the reduction of copper-vacancy concentration and the enhancement of hole density. The increase of calcination temperature or Li(I) doping concentration in the film increases both optical band gap energy and Cu2p binding energy, which are characterized by UV-vis-NIR and X-ray photoelectron spectroscopy, respectively. The overall hole density of the film is determined by the offset effect of intrinsic and extrinsic hole densities, which depend on the calcination temperature and the Li(I) doping amount, respectively. The apparent resistance of the film is determined by the concentration of the structural defects such as copper vacancies, Li(I) dopants, and grain boundaries, as well as by the hole density. As a result, it is found that the gas response value of the film sensor is directly proportional to the apparent sensor resistance.

Single C-vacancy and pyridine-like N3 defect are usually formed on the single-walled carbon nanotube (SWCNT) and they have unique properties for potential applications. In this paper, we use density functional theory to investigate the discrepancies of such two structures from the geometric and electronic aspects. Our results indicate that the existed single vacancy in the SWCNT can lead to somewhat electron localization because of the lone pair electrons; while the N3 embedded SWCNT ( N3-SWCNT) has stronger chemical reactivity and electron localization than the single vacancy SWCNT (SV-SWCNT) due to the great charge transfer between N3 group and C atom on the tube sidewall. Through the investigation of Ag-doping on the above two nano-structures, we found that the single Ag atom is much more stably adsorbed on the N3- SWCNT sidewall compared with SV-SWCNT, forming higher binding energy and higher electron transfer. Our calculation would shed light on the physicochemical property of SWCNT-based material and thus extend their potential applications in many fields.