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1.
The crystal structure, band structure, density of states, Mulliken charge, bond population and optical properties for LiBi_(1-x)M_xO_3(M=V, Nb, and Ta) were investigated using hybrid density functional theory. It was found that LiBiO_3 doped with V, Nb, and Ta presented distinctly stronger covalent interactions in M-O(M=V, Nb, and Ta) than Bi-O, thus resulting in mild distortion of the structure and facilitating the separation of photogenerated carriers. Furthermore, the hybridizations of Bi-6s, M-d(M=V, Nb, and Ta) and O-2p widened the valence and conduction bands, which promoted transmission of photogenerated carriers in the band edge and thus caused better photocatalytic performance. 相似文献
2.
吴浪 《武汉理工大学学报(材料科学英文版)》2015,30(4):724-728
CuO-doped (Ag0.75Li0.1Na0.1K0.05)NbO3 (ALNKN-xCuO, x = 0–2mol%) lead-free piezoelectric ceramics were prepared by the solid-state reaction method in air atmosphere. The effects of CuO addition on the phase structure, microstructure, and piezoelectric properties of the ceramics were investigated. The experimental results show that the ALNKN ceramics without doping CuO possess rhombohedral phase along with K2Nb6O16-type phase and metallic silver phase. For all of the CuO-doped ALNKN ceramics, a pure perovskite structure with the orthorhombic phase was obtained by enclosing the samples in a corundum tube. A homogeneous microstructure with the grain size of about 1 μm was formed for the ceramics with 0.5mol% CuO. The grain size increases with increasing amount of CuO. The temperature dependence of dielectric properties indicates that the ferroelectric phase of the ALNKN-xCuO ceramics becomes less stable with the addition of CuO. The ceramics with x = 1mol% exhibit relatively good electrical properties along with a high Curie temperature. These results will provide a helpful guidance to preparing other AN-based ceramics by solid-state reaction method in air atmosphere. 相似文献
3.
(Ba0.6Sr0.4)0.85Bi0.1TiO3 ceramics doped with x wt%CaZrO3 (x= 0-10) were synthesized by solid-state reaction method. The effects of CaZrO3 amount on the dielectric properties and structure of (Ba0.6Sr0.4)0.85Bi0.1TiO3 ceramics were investigated. X-ray diffraction results indicated a pure cubic perovskite structure for all samples and that the lattice parameter increased till x=5 and then slightly decreased. A homogenous microstructure was observed with the addition of CaZrO3. Dielectric measurements revealed a relaxor-like characteristic for all samples and that the diffusivity γ reached the maximum value of 1.78 at x=5. With the addition of CaZrO3, the dielectric constant dependence on electric field was weakened, insulation resistivity enhanced and dielectric breakdown strength improved obviously and reached 19.9 kV/mm at x=7.5. In virtue of low dielectric loss (tan δ<0.001 5), moderate dielectric constant (εr >1 500) and high breakdown strength (Eb >17.5 kV/mm), the CaZrO3 doped (Ba0.6Sr0.4)0.85Bi0.1TiO3 ceramic is a potential candidate material for high power electric applications. 相似文献
4.
The Cu x Si1-x thin films have been grown by pulsed laser deposition (PLD) with in situ annealing on Si (001) and Si (111), respectively. The transformation of phase was detected by X-ray diffraction (XRD). The results showed that the as-deposited films were composed of Cu on both Si (001) and Si (111). The annealed thin films consisted of Cu + η”-Cu3Si on Si (001) while Cu + η’-Cu3Si on Si (111), respectively, at annealed temperature (T a) = 300-600 °C. With the further increasing of T a, at T a= 700 °C, there was only one main phase, η”-Cu3Si on Si (001) while η’-Cu3Si on Si (111), respectively. The annealed thin films transformed from continuous dense structure to scattered-grain morphology with increasing T a detected by field emission scanning electron microscope (FESEM). It was also showed that the grain size would enlarge with increasing annealing time (t a). 相似文献
5.
TiC x /Cu composites were fabricated by combustion synthesis and hot press technology. Using XRD, SEM, EDS, FESEM analysis methods, the effects of various carbon sources and different Cu contents on the microstructures of TiC x /Cu composites and the size of TiC x particles were investigated. Results showed that TiC x reinforcing particles size increases with decreasing Cu content in Cu-Ti-C reaction system. With carbon nanotubes (carbon black) serving as carbon source, the generated TiC x particles size transits from nanometer to submicron when Cu content corresponding to the reaction system is reduced to 60 vol% (70 vol%); while graphite serves as carbon source, there is no clear limiting concentration. C particles with smaller size, larger specific surface area and better distribution result in finer TiC x particles, which is more beneficial to generating nano-sized TiC x /Cu composites. 相似文献
6.
王传彬 《武汉理工大学学报(材料科学英文版)》2018,33(2):268-272
Polycrystalline Bi4Ti3O12 thin films with various fractions of a-axis, c-axis and random orientations have been grown on Pt(111)/Ti/SiO2/Si substrates by laser-ablation under different kinetic growth conditions. The relationship between the structure and ferroelectric property of the films was investigated, so as to explore the possibility of enhancing ferroelectric polarization by controlling the preferred orientation. The structural characterization indicated that the large growth rate and high oxygen background pressure were both favorable for the growth of non-c-axis oriented grains in the Bi4Ti3O12 thin films. The films with high fractions of a-axis and random orientations, i e, f (a-sxis) = 28.3% and f (random) = 69.6%, could be obtained at the deposition temperature of 973 K, oxygen partial pressure of 15 Pa and laser fluence of 4.6 J/cm2, respectively. It was also noted that the variation of ferroelectric polarization was in accordance with the evolution non-c-axis orientation. A large value of remanent polarization (2Pr = 35.5 μC/cm2) was obtained for the Bi4Ti3O12 thin films with significant non-c-axis orientation, even higher than that of rare-earth-doped Bi4Ti3O12 films. 相似文献
7.
We put forward a first-principles density-functional theory about the impact of pressure on the structural and elastic properties of bulk CaN2, SrN2 and BaN2. The ground state properties of three alkaline earth diazenides were obtained, and these were in good agreement with previous experimental and theoretical data. By using the quasi-harmonic Debye model, the thermodynamic properties including the debye temperature Θ D, thermal expansion coefficient α, and grüneisen parameter γ are successfully obtained in the temperature range from 0 to 100 K and pressure range from 0 to 100 GPa, respectively. The optical properties including dielectric function ε(?), absorption coefficient α(?), reflectivity coefficient R(?), and refractive index n(?) are also calculated and analyzed. 相似文献
8.
Min Chul Lee 《中国科学:技术科学(英文版)》2016,59(12):1804-1813
This paper reports the effects of variations in the fuel composition of H2/CO/CH4 syngas on the characteristics of NO x and CO emissions in a partially-premixed gas turbine combustor. Combustion tests were conducted on a full range of fuel compositions by varying each component gas from 0% to 100% at heat inputs of 40 and 50 kWth. Flame temperature, combustor liner temperature, ignition delay time, and flame structure were investigated computationally and experimentally to judge whether they are significant indicators of NO x and CO formation. The characteristics of and reasons for NO x and CO emissions were investigated by analyzing the emission mechanisms and relationships among fuel property, equivalence ratio, flame temperature, liner temperature, flame shape. The flame structures were investigated using the following flame visualization methods: (1) time-averaged OH* chemiluminescence and its Abel-deconvolution; (2) direct photography; and (3) instantaneous OH-PLIF. The flame structures were greatly changed by the fuel composition and heat input, and they were subjected to key affecting parameters of the temperatures of the flames and the liners. NO x and CO emissions also largely varied according to fuel composition and heat input, showing neither linearly nor exponentially clear proportional trends toward the syngas compositions because of the singular conditions. For example, only the 100% CO flame at low load emitted lots of CO, whereas complete combustion was observed in other cases. However, the qualitative observations showed that the root causes of NO x emission behaviors were flame temperature and flame structure, which were directly related to the residence time in the flame. Various sets of practical test results were obtained, and these results could contribute to the optimal selection of the fuel-feeding condition when fuel is changed from natural gas to syngas in order to minimize NO x and CO emissions with stable combustion. 相似文献
9.
王华 《武汉理工大学学报(材料科学英文版)》2016,31(6):1230-1234
ZnMn2O4 films for resistance random access memory (RRAM) were fabricated with different device structures by magnetron sputtering. The effects of electrode on I-V characteristics, resistance switching behavior, endurance and retention characteristics of ZnMn2O4 films were investigated. The ZnMn2O4 films, using p-Si and Pt as bottom electrode, exhibit bipolar resistive switching (BRS) behavior dominated by the space-charge-limited conduction (SCLC) mechanism in the high resistance state (HRS) and the filament conduction mechanism in the low resistance state (LRS), but the ZnMn2O4 films using n-Si as bottom electrodes exhibit both bipolar and unipolar resistive switching behaviors controlled by the Poole-Frenkel (P-F) conduction mechanism in both HRS and LRS. Ag/ZnMn2O4/p-Si device possesses the best endurance and retention characteristics, in which the number of stable repetition switching cycle is over 1000 and the retention time is longer than 106 seconds. However, the highest R HRS/R LRS ratio of 104 and the lowest V ON and V OFF of 3.0 V have been observed in Ag/ZnMn2O4/Pt device. Though the Ag/ZnMn2O4/n-Si device also possesses the highest R HRS/R LRS ratio of 104, but the highest values of V ON,V OFF, R HRS and R LRS, as well as the poor endurance and retention characteristics. 相似文献
10.
王衍行 《武汉理工大学学报(材料科学英文版)》2016,31(5):961-964
The effect of Ga2O3 on the structure and properties of calcium aluminate glasses fabricated by vacuum melting process was investigated by Raman spectrum, differential scanning calorimeter (DSC), and infrared spectrum methods. The results show that calcium aluminate glass network only consists of [AlO4] tetrahedral units. With the gradual addition of Ga2O3, the quantity of [GaO4] tetrahedral units increases. Substitution of Ga2O3 for Al2O3 results in a decrease in T g T x, and T p, and an increase in the thermal stable index ΔT. Similarly, the absorption band around 3.0 μm obviously reduces and the transparency in 4.0-6.0 μm rapidly increases with increasing Ga2O3 content. However, the chemical stability of calcium aluminate glasses decreases if Ga2O3 is introduced due to the increasing of [GaO4] units in the glass network. 相似文献
11.
Crystal growth,structure and properties of bismuth triborate BiB<Subscript>3</Subscript>O<Subscript>6</Subscript> crystal 总被引:1,自引:0,他引:1
BiB3O6 (BIBO) single crystals with size of 46×23×10 mm3 and weight of 26.0 g have been successfully grown by top-seeded method. Problems encountered in the growth process of this crystal have been discussed in detail, and the methods of growing high-quality large crystals have been put forward. The relationship between their structure and properties is studied. The space group of monoclinic BiB3O6 is C2 and the cell parameters are a=7.1203(7) Å, b=4.9948(7) Å, c=6.5077(7) Å, β=105.586(8)″, and V=222.93(5) Å3. The density of BIBO is 4.8965 g/cm3. The Mohs’s scale of hardness is 5.5–6. There is no cleavage face in the crystal. The transmittance of BIBO is about 80 percent in the range from visible coherent light to near-infrared light. The ultraviolet cutoff wavelength is at 276 nm. BiB3O6 is a biaxial crystal and has two sets of axes, and the relative orientation of (X, Y, Z) with regard to (a, b, c) is: X//b, (Y, c)=47.2°, (Z, a)=31.6°, determined by X-ray analysis combined with polarized microscopy. Second-harmonic-generation (SHG) experiments were carried out for the first time. In type I phase-matching (PM) directions (11.1°, 90°) and (168.9°, 90°), SHG conversion efficiencies of two directions for 1.064 μm light are up to 67.7% and 58%, respectively. We have also obtained the third-harmonic-generation (THG) of 1.064 μm. The comparative experiments between BIBO and KTP were carried out on conversion efficiency, transmittance and hardness. All the above results indicate that BiB3O6 is a kind of excellent nonlinear optical (NLO) crystal. 相似文献
12.
张光富 《武汉理工大学学报(材料科学英文版)》2018,33(3):566-570
The spontaneous magnetic transitions and corresponding magnetoelastic properties of intermetallic compounds RMn2Ge2 (R=Gd, Tb and Dy) were investigated by using the X-ray diffraction method and magnetic measurement. The results showed that the compounds experience two magnetic transitions, namely the second-order paramagnetic to antiferromagnetic transition at temperature TN (TN=368, 423 and 443 K for GdMn2Ge2, TbMn2Ge2 and DyMn2Ge2, respectively) and the first-order antiferromagnetic - ferrimagnetic transition at temperature Tt (Tt=96, 80 and 40 K for GdMn2Ge2, TbMn2Ge2 and DyMn2Ge2, respectively) as the temperature decreases. The temperature dependence of the lattice constant a(T) displays a negative magnetoelastic anomaly at the second-order transition point TN and, at the first-order transition Tt, a increases abruptly for GdMn2Ge2 and TbMn2Ge2, Δa/a about 10-3. Nevertheless, the lattice constant c almost does not change at these transition points indicating that such magnetoelastic anomalies are mainly contributed by the Mn-sublattice. The transitions of the magnetoelastic properties are also evidenced on the temperature dependence of magnetic susceptibility χ. The first-order transition behavior at Tt is explained by the Kittel mode of exchange inversion. 相似文献
13.
Ferroelectric and leakage properties are important for ferroelectric applications. Pure and Nd-doped (x=0.05-0.20) BiFeO3 thin films were fabricated by sol-gel method on FTO substrates. The phase structure, surface morphology, leakage current, ferroelectric properties, and optical properties of BiFeO3- based thin films were investigated. The substitution of Nd3+ ions for the Bi3+ site converts the structure from rhombohedral to coexisting tetragonal and orthorhombic. Nd doping improves the crystallinity of BiFeO3 thin films. The leakage current of Nd-doped BiFeO3 decreases by two to three orders of magnitude compared with that of pure BiFeO3. Among the samples, 15% Nd-doped BiFeO3 exhibits the strongest ferroelectric polarization of 17.96 μC/cm2. Furthermore, the absorption edges of Bi1-xNd x FeO3 thin films show a slight red-shift after Nd doping. 相似文献
14.
High performance piezoelectric ceramics with high Curie temperatures(TC) are the bottle necks of relevant high temperature devices. In this study, the electrical performance and microstructure of Li and Mn codoped Aurivillius-type composite ceramics with a composition Ca_(0.99-x_Bi_(6.99+x)(Li Mn)_(0.01) Nb Ti_5O_(24)(x = 0–0.8) were systematically investigated. The results indicated that uniform intergrowth structure with a lattice similar to that of the end member CBT could be formed at a low x value(x 0.4). Phase separation occurred when more A-site Ca~(2+) ions were replaced by Bi~(3+) ions. Nevertheless, all composite samples showed d_(33) values about 2 to 3 times of that of the constituent phase Ca Bi_4Ti_4O_(15) and Bi_3 Ti NbO_9 with still a high depolarization temperature. The performance of the samples was found to be related to the density and larger lattice distortion along the polarization a axis. The results also demonstrated that formation of the compound system was an effective way in improving the performance of Aurivillius-type high TC piezoelectric ceramics. 相似文献
15.
In this work, we have studied a new lead-free ceramic of(1-y)Bi_(1-x)Nd_xFeO_(3-y)BiScO_3(0.05≤x≤0.15 and 0.05≤y≤0.15) prepared by a conventional solid-state method, and the influences of Nd and Sc content on their phase structure and electrical properties were investigated in detail. The ceramics with 0.05≤x≤0.10 and 0.05≤y≤0.15 belong to an R3 c phase, and the rhombohedral-like and orthorhombic multiphase coexistence is established in the composition range of 0.125≤x≤0.15 and y=0. The electrical properties of the ceramics can be enhanced by modifying x and y values. The highest piezoelectric coefficient(d33~51 p C/N) is obtained in the ceramics with x=0.075 and y=0.125, which is superior to that of a pure BiFeO_3 ceramic. In addition, a lowest dielectric loss(tan δ~0.095%, f=100 k Hz) is shown in the ceramics with x=0.15 and y=0 due to the involvement of low defect concentrations, and the improved thermal stability of piezoelectricity at 20–600oC is possessed in the ceramics. We believe that the ceramics can play a meaningful role in the high-temperature lead-free piezoelectric applications. 相似文献
16.
The electronic structures of bulk Bi2Te3 crystals were investigated by the first-principles calculations. The transport coefficients including Seeback coefficient and power factor were then calculated by the Boltzmann theory, and further evaluated as a function of chemical potential assuming a rigid band picture. The results suggest that p-type doping in the Bi2Te3 compound may be more favorable than n-type doping. From this analysis results, doping effects on a material will exhibit high ZT. Furthermore, we can also find the right doping concentration to produce more efficient materials, and present the “advantage filling element map” in detail. 相似文献
17.
张羊换 《武汉理工大学学报(材料科学英文版)》2018,33(2):278-287
Nanocrystalline and amorphous LaMg12-type LaMg11Ni + x wt% Ni (x = 100, 200) alloys were synthesized by mechanical milling. Effects of Ni content and milling time on the gaseous and electrochemical hydrogen storage kinetics of as-milled alloys were investigated systematically. The electrochemical hydrogen storage properties of the as-milled alloys were tested by an automatic galvanostatic system. And the gaseous hydrogen storage properties were investigated by Sievert apparatus and a differential scanning calorimeter (DSC) connected with a H2 detector. Hydrogen desorption activation energy of alloy hydrides was estimated by using Arrhenius and Kissinger methods. It is found that the increase of Ni content significantly improves the gaseous and electrochemical hydrogen storage kinetic performances of as-milled alloys. Furthermore, as ball milling time changes, the maximum of both high rate discharge ability (HRD) and the gaseous hydriding rate of as-milled alloys can be obtained. But the hydrogen desorption kinetics of alloys always increases with the extending of milling time. Moreover, the improved gaseous hydrogen storage kinetics of alloys are ascribed to a decrease in the hydrogen desorption activation energy caused by increasing Ni content and milling time. 相似文献
18.
Amorphous La0.7Zn0.3MnO3 (LZMO) films were deposited on p+-Si substrates by sol-gel method at low temperature of 450 °C. The Ag/LZMO/p+-Si device exhibits invertible bipolar resistive switching and the R HRS/R LRS was about 104-106 at room temperature which can be kept over 103 switching cycles. Better endurance characteristics were observed in the Ag/LZMO/p+-Si device, the V Set and the V Reset almost remained after 103 endurance switching cycles. According to electrical analyses, the conductor mechanism was in low resistor state (LRS) governed by the filament conductor and in the high state (HRS) dominated by the traps-controlled space-charge-limited current (SCLC) conductor. 相似文献
19.
Manganese-doped Ba0.925Ca0.075TiO3 lead-free piezoelectric ceramics (abbreviated as BCT) with high mechanical quality factor were synthesized by conventional solid-state reaction method. The effects of excess Ba on the crystal structure, microstructure, and electrical properties of the ceramics were systematically investigated. X-ray diffraction and Raman spectra revealed that Ca2+ ions were pushed from Ba sites to Ti sites of BCT when 1.5 mol% extra Ba2+ ions were added after sintering. The grain size of the ceramics was decreased by adding extra Ba2+ ions. The mechanical quality factor and resistivity of the ceramics decreased dramatically when the excess Ba was more than 1.5 mol%. High piezoelectric coefficients ( d33 = 150–190 pC/N ) and high mechanical quality factors ( Qm = 1 000–1 200 ) were obtained in the ceramics when the excess of Ba was between 0.5 mol% and 1 mol%. These results indicated that the properties of BCT ceramics could be tailored by adjusting the content of Ba. 相似文献
20.
The Ag/Mg0.2Zn0.8O/ZnMn2O4/p+-Si heterostructure devices were fabricated by sol-gel spin coating technique and the resistive switching behavior, conduction mechanism, endurance characteristic, and retention properties were investigated. A distinct bipolar resistive switching behavior of the devices was observed at room temperature. The resistance ratio R HRS/R LRS of high resistance state and low resistance state is as large as four orders of magnitude with a readout voltage of 2.0 V. The dominant conduction mechanism of the device is trap-controlled space charge limited current (SCLC). The devices exhibit good durability under 1×103 cycles and the degradation is invisible for more than 106 s. 相似文献