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1.
\(\hbox {Pr}^{3+}\) doped molybdenum lead-borate glasses with the chemical composition 75PbO?[25–(x \(+\) y)\(\hbox {B}_{2}\hbox {O}_{3}]\)\(y\hbox {MoO}_{3}\)\(x\hbox {Pr}_{2}\hbox {O}_{3}\) (where \(x = 0.5\) and 1.0 mol% and \(y = 0\) and 5 mol%) were prepared by conventional melt-quenching technique. Thermal, optical and structural analyses are carried out using DSC, UV and FTIR spectra. The physical parameters, like glass transition \((T_{\mathrm{g}})\), stability factor \((\Delta T)\), optical energy band gap \((E_{\mathrm{gopt}})\), of these glasses have been determined as a function of dopant concentration. The \({T}_{\mathrm{g}}\) and optical energy gaps of these glasses were found to be in the range of 290–350\({^{\circ }}\hbox {C}\) and 2.45–2.7 eV, respectively. Stability of the glass doped with \(\hbox {Pr}^{3+}\) is found to be moderate (\(\sim \)40). The results are discussed using the structural model of Mo–lead-borate glass.  相似文献   

2.
The effect of thermal annealing in an inert atmosphere (argon) on the structural and thermochromic properties of \(\hbox {MoO}_{3}\) thin films was investigated. \(\hbox {MoO}_{3}\) thin films were deposited by thermal evaporation in vacuum of \(\hbox {MoO}_{3}\) powders. X-ray diffraction patterns of the films showed the presence of the monoclinic Magneli phase \(\hbox {Mo}_{9}\hbox {O}_{26}\) for annealing temperatures above \(250\,{^{\circ }}\hbox {C}\). Absorbance spectra of the films annealed in argon indicated that their thermochromic response increases with the annealing temperature in the analyzed range (23 \({^{\circ }}\hbox {C}\)–300 \({^{\circ }}\hbox {C}\)), a result opposite to the case of thermal annealings in air, for which case the thermochromic response shows a maximum value around 200 \({^{\circ }}\)C–225 \({^{\circ }}\)C and decreases for higher temperatures. These results are explained in terms of a higher density of oxygen vacancies formed upon thermal treatments in inert atmospheres.  相似文献   

3.
Structural and optical properties of \(\text {WO}_{3}/\text {Ag}/\text {WO}_{3}\) nano-multilayer composites were investigated for heat mirror applications. \(\text {WO}_{3}/\text {Ag}/\text {WO}_{3}\) thin films were fabricated through a physical vapour deposition method by using electron-beam evaporation at the vacuum chamber at 10\(^{-5}\) Torr. \(\text {WO}_{3}\) nano-layer was fabricated at 40 nm. Annealing treatment was carried out at 100, 200, 300 and 400\(^{\circ }\)C for 1 h after the deposition of first layer of \(\text {WO}_{3}\) on the glass. On \(\text {WO}_{3}\) film, Ag nano-layers with 10, 12 or 14 nm thickness were deposited. Individual layers morphology was investigated using atomic force microscopy (AFM) and deduced that a smoother layer can be achieved after the annealing at 300\(^{\circ }\)C. Ellipsometry analysis was executed to determine both layers, Ag film thickness and inter-diffusion between the \(\text {WO}_{3}\)–Ag–\(\text {WO}_{3}\) layers. It was inferred that there was almost no interfering among the \(\text {WO}_{3}\)\(\text {WO}_{3 }\) layers in the samples with 12 and 14 nm Ag thickness; while silver was deposited on the annealed \(\text {WO}_{3}\) layer at 300\(^{\circ }\)C. UV–visible spectrophotometer showed that the annealing treatment of the first \(\text {WO}_{3}\) layer enhanced the transparency of films in the visible region. The innovations of the present study have been based on the annealing of the films and finding an optimum thickness for the Ag film at 12–14 nm. Heat mirrors efficiency was assessed according to the principle of their optical behaviour and optimum performance obtained for 14 nm of Ag film, deposited on annealed tungsten oxide at 300\(^{\circ }\)C.  相似文献   

4.
Thin films of \(\hbox {Cu}_{2}\hbox {ZnSnS}_{4}\) (CZTS), a promising solar cell absorber, were grown by thermal evaporation of ZnS, Sn and Cu precursors and subsequent annealing in sulphur atmosphere. Two aspects are chosen for investigation: (i) the effect of substrate temperature (\(T_{\mathrm{S}})\) used for the deposition of precursors and (ii) (\(\hbox {N}_{2}{+}\hbox {S}_{2})\) pressure during annealing, to study their impact on the growth of CZTS films. X-ray diffraction analysis of these films revealed the structure to be kesterite with (112) preferred orientation. Crystallite size is found to slightly increase with increase in \(T_{\mathrm{S}}\) as well as pressure during annealing. From optical absorption studies, the direct optical band gap of CZTS films is found to be \({\sim }\)1.45 eV. Room temperature electrical resistivity of the films obtained on annealing the stacks at 10 and 100 mbar pressures is found to be in the ranges 25–55 and 5–25 \(\Omega \) cm, respectively, depending on \(T_{\mathrm{S}}\). Films prepared by annealing the stack deposited at 300\({^{\circ }}\)C under 100 mbar pressure for 90 min are slightly Cu-poor and Zn-rich with compact grain morphology.  相似文献   

5.
\(\hbox {BiO}_{0.75}\hbox {F}_{0.25}\hbox {BiS}_{2}\) crystallizes in tetragonal CeOBiS\(_{2}\) structure (S. G. P4/nmm). We have investigated the effect of pressure on magnetization measurements. Our studies suggest improved superconducting properties in polycrystalline samples of \(\hbox {BiO}_{0.75}\hbox {F}_{0.25}\hbox {BiS}_{2}\). The \(T_{\mathrm{c}}\) in our sample is 5.3 K, at ambient pressure, which is marginal but definite enhancement over \(T_{\mathrm{c}}\) reported earlier (= 5.1 K). The upper critical field \(H_{\mathrm{c}2}\)(0) is greater than 3 T, which is higher than earlier report on this material. As determined from the MH curve, both \(H_{\mathrm{c}2}\) and \(H_{\mathrm{c}1}\) decrease under external pressure P (0 \(\le P \le \) 1 GPa). We observe a decrease in critical current density and transition temperature on applying pressure in \(\hbox {BiO}_{0.75}\hbox {F}_{0.25}\hbox {BiS}_{2}\).  相似文献   

6.
We report the effects of annealing in conjunction with \(\hbox {CdCl}_{2}\) treatment on the photovoltaic properties of \(\hbox {CdTe/Zn}_{0.1}\hbox {Cd}_{0.9}\)S thin film solar cells. CdTe layer is subjected to dry \(\hbox {CdCl}_{2}\) treatment by thermal evaporation method and subsequently, heat treated in air using a tube furnace from 400 to \(500{^{\circ }}\hbox {C}\). AFM and XRD results show improved grain size and crystallographic properties of the CdTe film with dry \(\hbox {CdCl}_{2}\) treatment. This recrystallization and grain growth of the CdTe layer upon \(\hbox {CdCl}_{2}\) treatment translates into improved photo-conversion efficiencies of \(\hbox {CdTe/Zn}_{0.1}\hbox {Cd}_{0.9}\)S cell. The results of dry \(\hbox {CdCl}_{2}\) treatment were compared with conventional wet \(\hbox {CdCl}_{2}\) treatment. Photo-conversion efficiency of 5.2% is achieved for dry \(\hbox {CdCl}_{2}\)-treated cells in comparison with 2.4% of wet-treated cell at heat treatment temperature of \(425{^{\circ }}\hbox {C}\).  相似文献   

7.
The layered Li-TM-\(\hbox {O}_{2}\) materials have been investigated extensively due to their application as cathodes in Li batteries. The electrical properties of these oxides can be tuned or controlled either by non-stoichiometry or substitution. Hence the thermo-transport properties of Zn-substituted \(\hbox {LiNi}_{1-x}\hbox {Zn}_{x}\hbox {O}_{2}\) for \(0 \le x \le 0.16\) have been investigated in the temperature range of 300–900 K for potential application as a high-temperature thermoelectric material. For \(x < 0.08\), the compounds were of single phase belonging to the space group R-3mH while for \(x > 0.08\) an additional minority phase, ZnO forms together with the main layered phase. All the compounds exhibit a semiconducting behaviour with electrical resistivity, varying in the range of  \(\sim 10^{-4}\) to \(10^{-2}\,\,\Omega \hbox {m}\) between 300 and 900 K. The electrical resistivity is found to increase with increasing Zn-substitution predominantly due to a decrease in the charge carrier hole mobility. The activation energy remains constant, \(\sim \)10  meV, with Zn-substitution. The Seebeck coefficient of the compounds is found to decrease with increasing temperature and increase with increasing Zn-substitution. The Seebeck coefficient decreases from \(\sim \)95 to \(35\ \upmu \hbox {V K}^{-1}\) and the corresponding power factor is \(\sim \)12\(\ \upmu \hbox {W m}^{-1}\ {\hbox {K}}^{-2}\) for the \(x = 0.16\) compound.  相似文献   

8.
We prepared a lead-free ceramic (\(\hbox {Ba}_{0.85}\hbox {Ca}_{0.15})(\hbox {Ti}_{1-x}\hbox {Zr}_{x})\hbox {O}_{3}\) (BCTZ) using the conventional mixed oxide technique. The samples were prepared by an ordinary mixing and sintering technique. In this study we investigated how small amounts of \(\hbox {Zr}^{4+}\) can affect the crystal structure and microstructure as well as dielectric and piezoelectric properties of \(\hbox {BaTiO}_{3}\). X-ray diffraction analysis results indicate that no secondary phase is formed in any of the BCTZ powders for \(0 \le x \le 0.1\), suggesting that \(\hbox {Zr}^{4+}\) diffuses into \(\hbox {BaTiO}_{3}\) lattices to form a solid solution. Scanning electron microscopy micrographs revealed that the average grain size gradually increased with \(\hbox {Zr}^{4+}\) content from 9.5 \(\upmu \!\hbox {m}\) for \(x = 0.02\) to 13.5 \(\upmu \!\hbox {m}\) for \(x = 0.1\); Curie temperature decreased due to the small tetragonality caused by \(\hbox {Zr}^{4+}\) addition. Owing to the polymorphic phase transition from orthorhombic to tetragonal phase around room temperature, it was found that the composition \(x = 0.09\) showed improved electrical properties and reached preferred values of \(d_{33} = 148\) pC \(\hbox {N}^{-1}\) and \(K_{\mathrm{p}} = 27\%\).  相似文献   

9.
The tetragonal scheelite-type \(\hbox {Sm}^{3+}\hbox {/Bi}^{3+}\) ions co-doped with \(\hbox {NaLa}(\hbox {MoO}_{4})_{2}\) phosphors were synthesized by a facile sol–gel and combustion process using citric acid as complexing agent. The crystal structure and morphology of these as-prepared samples were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). Furthermore, UV-absorption and the photoluminescence (PL) properties of these phosphors were systematically investigated and the PL of the phosphors shows strong white light emissions. Efficient energy transfer from the \(\hbox {MoO}_{4}^{2-}\) group or \(\hbox {Bi}^{3+}\) ions to \(\hbox {Sm}^{3+}\) ions was established by PL investigation excited at 405 nm. The PL intensity of the studied materials was investigated as a function of different \(\hbox {Sm}^{3+}\) and \(\hbox {Bi}^{3+}\) concentrations. The PL investigations revealed that the phosphors exhibit apparent characteristic emissions, which is ascribed to the transition from the ground state energy level \(^{4}\hbox {G}_{5/2}\) to excited state energy levels \(^{6}\hbox {H}_{\mathrm{J}}\) (\(J= 5/2, 7/2, 9/2\)) and the \(\hbox {NaLa}(\hbox {MoO}_{4})_{2}\): 4 mol% \(\hbox {Sm}^{3+}\) and \(\hbox {NaLa}(\hbox {MoO}_{4})_{2}\): 4 mol% \(\hbox {Sm}^{3+}\), 8 mol% \(\hbox {Bi}^{3+}\) present white emissions with the CIE coordinates of (0.350, 0.285) and (0.285, 0.229), respectively. The absolute quantum efficiencies of the phosphors are 40% (\(\hbox {NaLa}(\hbox {MoO}_{4})_{2}\): 4 mol% \(\hbox {Sm}^{3+}\)) and 52% (\(\hbox {NaLa}(\hbox {MoO}_{4})_{2}\): 4 mol% \(\hbox {Sm}^{3+}\), 8 mol% \(\hbox {Bi}^{3+}\)), respectively.  相似文献   

10.
The superconducting phase transition at \(T_\mathrm{c} = 2.3\) K was observed for the electrical resistivity \(\rho ({T})\) and magnetic susceptibility \(\chi (T)\) measurements in the ternary compound La\(_{5}\hbox {Ni}_{2}\hbox {Si}_{3}\) that crystallizes in the hexagonal-type structure. Although a single-phase character with the nominal stoichiometry of the synthesized sample was confirmed, a small trace of the La–Ni phase was found, being probably responsible for the superconducting behaviour in the investigated compound. The magnetization loop recorded at \({T} = 0.5\) K resembles a star-like shape which indicates that the density of the critical current can be strongly suppressed by a magnetic field. The low-\(T _{\rho }(T)\) and specific heat \({C}_\mathrm{p}({T})\) data in the normal state reveal simple metallic behaviour. No clear evidence of a phase transition to any long- or short-range order was found for \(C_\mathrm{p}(T)\) measurements in the T-range of 0.4–300 K.  相似文献   

11.
This study describes the temperature and heat flow rate calibrations of a Calvet calorimeter (SETARAM, BT2.15) in the temperature range of 0–190 \({^{\circ }}\hbox {C}\). Temperature calibration is carried out using three reference materials, namely water, gallium, and indium, as specified in the International Temperature Scale of 1990 (ITS-90). The sample temperature of the Calvet calorimeter is corrected by the obtained mean value, \(-0.489 \,{^{\circ }}\hbox {C}\), of the measured extrapolated peak onset temperature (\(T_{e})\) when the heating rate (\(\upbeta )\) is zero (\(\Delta T_\mathrm{corr }(\upbeta ~=~0\))). The heat flow rate is calibrated using a reference material with a known heat capacity, namely SRM 720 \(\alpha \)-\(\hbox {Al}_{2}\hbox {O}_{3}\) (synthetic sapphire), which is traceable to the National Institute of Standards and Technology. From the heat flow rate measurements of the blank baseline and SRM 720, the proportional calibration factor, \(\hbox {K}_{\Phi }\), in the 0–190\( \,{^{\circ }}\hbox {C}\) temperature range was determined. The specific heat capacity of copper was measured with the obtained calibration values, and the measured data show consistency with the reference value.  相似文献   

12.
\(\hbox {SrTiO}_{3}\) and Bi-doped \(\hbox {SrTiO}_{3}\) films were fabricated with different device structures using the sol–gel method for non-volatile memory applications, and their resistance-switching behaviour, endurance and retention characteristics were investigated. \(\hbox {SrTiO}_{3}\) and \(\hbox {Sr}_{0.92}\hbox {Bi}_{0.08}\hbox {TiO}_{3}\) films grown on Si or Pt have the same phase structure, morphologies and grain size; however, the grain size of the \(\hbox {Sr}_{0.92}\hbox {Bi}_{0.08}\hbox {TiO}_{3}\) films grown on Si is slightly larger than those of the \(\hbox {SrTiO}_{3}\) films grown on Si and the \(\hbox {Sr}_{0.92}\hbox {Bi}_{0.08}\hbox {TiO}_{3}\) films grown on Pt. The \(\hbox {SrTiO}_{3}\) or \(\hbox {Sr}_{0.92}\hbox {Bi}_{0.08}\hbox {TiO}_{3}\) films grown on Si or Pt all exhibit bipolar resistive-switching behaviour and follow the same conductive mechanism; however, the \(\hbox {Ag}/\hbox {Sr}_{0.92}\hbox {Bi}_{0.08}\hbox {TiO}_{3}/\hbox {Si}\) device possesses the highest \(R_{\mathrm{HRS}}{/}R_{\mathrm{LRS}}\) of \(10^{5}\) and the best endurance and retention characteristics. The doping of Bi is conducive to enhance the \(R_{\mathrm{HRS}}{/}R_{\mathrm{LRS}}\) of the \(\hbox {SrTiO}_{3}\) films; meanwhile, the Si substrates help improve the endurance and retention characteristics of the \(\hbox {Sr}_{0.92}\hbox {Bi}_{0.08}\hbox {TiO}_{3}\) films.  相似文献   

13.
\(\hbox {V}_{2}\hbox {O}_{5}\) nanomaterials with rough surface were synthesized using commercial \(\hbox {V}_{2}\hbox {O}_{5}\), ethanol (EtOH) and \(\hbox {H}_{2}\hbox {O}\) as the starting materials by a simple hydrothermal route and combination of calcination. The electrochemical properties of \(\hbox {V}_{2}\hbox {O}_{5}\) nanomaterials as electrodes in a supercapacitor device were measured using cyclic voltammetry (CV) and galvanostatic charge–discharge (GCD) method. \(\hbox {V}_{2}\hbox {O}_{5}\) nanomaterials exhibit the specific capacitance of 423 F \(\hbox {g}^{-1}\) at the current density of 0.5 A \(\hbox {g}^{-1}\) and retain 327 F \(\hbox {g}^{-1}\) even at the high current density of 10 A \(\hbox {g}^{-1}\). The influence of the ratio of \(\hbox {EtOH/H}_{2}\hbox {O}\), the calcined time and temperature on the morphology, purity and electrochemical property of the products is discussed in detail. The results revealed that the ratio of \(\hbox {EtOH}\hbox {/}\hbox {H}_{2}\hbox {O}= 10\hbox {/}25\) and calcination at \(400{^{\circ }}\hbox {C}\) for 2–4 h are favourable for preparing \(\hbox {V}_{2}\hbox {O}_{5}\) nanomaterials and they exhibited the best electrochemical property. The novel morphology and high specific surface area are the main factors that contribute to high electrochemical performance of \(\hbox {V}_{2}\hbox {O}_{5}\) nanomaterials during the charge–discharge processes. It turns out that \(\hbox {V}_{2}\hbox {O}_{5}\) nanomaterials with rough surface is an ideal material for supercapacitor electrode in the present work.  相似文献   

14.
Heat-flux sensors are widely used in industry to test building products and designs for resistance to bushfire, to test the flammability of textiles and in numerous applications such as concentrated solar collectors. In Australia, such detectors are currently calibrated by the National Measurement Institute Australia (NMIA) at low flux levels of 20 W \(\cdot \) m\(^{-2}\). Estimates of the uncertainty arising from nonlinearity at industrial levels (e.g. 50 kW \(\cdot \) m\(^{-2}\) for bushfire testing) rely on literature information. NMIA has developed a facility to characterize the linearity response of these heat-flux sensors up to 110 kW \(\cdot \) m\(^{-2}\) using a low-power \(\hbox {CO}_2\) laser and a chopped quartz tungsten–halogen lamp. The facility was validated by comparison with the conventional flux-addition method, and used to characterize several Schmidt–Boelter-type sensors. A significant nonlinear response was found, ranging from (\(3.2 \pm 0.9\))% at 40 kW \(\cdot \) m\(^{-2}\) to more than 8 % at 100 kW \(\cdot \) m\(^{-2}\). Additional measurements confirm that this is not attributable to convection effects, but due to the temperature dependence of the sensor’s responsivity.  相似文献   

15.
Tetragonal \(\text {NaY}(\text {MoO}_{4})_{2}\) (NYM) phosphors co-doped with \(\hbox {Yb}^{3+}\) and \(\hbox {Tm}^{3+}\) ions were synthesized through microwave hydrothermal method followed by calcining treatment. Powder X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy and photoluminescence spectra were used to characterize the properties of as-prepared samples. The results show that \(\hbox {Yb}^{3+}\)/\(\hbox {Tm}^{3+}\) co-doped NYM displayed bright blue emission near 472 and 476 nm (\(^{1}\hbox {G}_{4}\rightarrow {}^{3}\hbox {H}_{6}\) transition), strong near-infrared upconversion (UC) emission around 795 nm (\(^{3}\hbox {H}_{4}\rightarrow {}^{3}\hbox {H}_{6}\) transition). The optimum doping concentrations of \(\hbox {Yb}^{3+}\) and \(\hbox {Tm}^{3+}\) for the most intense UC luminescence were obtained, and the related UC mechanism of \(\hbox {Yb}^{3+}\)/\(\hbox {Tm}^{3+}\) co-doped NYM depending on pump power was studied in detail.  相似文献   

16.
The element \(\hbox {Co}^{3+}\) was introduced into lithium-rich material \(0.5\hbox {Li}_{2}\hbox {MnO}_{3} \cdot 0.5 \hbox {LiNi}_{0.5}\hbox {Mn}_{0.5}\hbox {O}_{2}\) by a polyacrylamide-assisted sol–gel method to form \(\hbox {Li}[\hbox {Li}_{0.2} \hbox {Ni}_{0.1} \hbox {Mn}_{0.5} \hbox {Co}_{0.2}]\hbox {O}_{2}\) and better electro-chemical performances were observed. Electrochemical impedance spectroscopy spectra were measured on 11 specific open circuit voltage levels on the initial charge profile. Then they were converted to the distribution of relaxation times (DRTs) g(\(\tau \)) by self-consistent Tikhonov regularization method. The obtained DRTs offered a higher resolution in the frequency domain and provided the number and the physical origins of loss processes clearly. Through the analysis of DRTs, the rapid augmentation of resistance to electronic conduction and charge transfer within the voltage range 4.46–4.7 V where the removal of \(\hbox {Li}_{2}\hbox {O}\) from \(\hbox {Li}_{2} \hbox {MnO}_{3}\) component took place was the most remarkable phenomenon and the \(\hbox {Co}^{3+}\) doping greatly reduced the resistance to electronic conduction Re. This gave us more evidence about the complicated ‘structurally integrated’ composite character of the material.  相似文献   

17.
The temperature-dependent current–voltage (\(I\text {--}V\)) and capacitance–voltage (\(C\text {--}V\)) characteristics of the fabricated Al/p-Si Schottky diodes with the polythiopene–SiO\(_{2}\) nanocomposite (\(\hbox {PTh--SiO}_{2}\)) interlayer were investigated. The ideality factor of \(\hbox {Al}/\hbox {PTh--SiO}_{2}/{p}\text {-Si}\) Schottky diodes has decreased with increasing temperature and the barrier height has increased with increasing temperature. The change in the barrier height and ideality factor values with temperature was attributed to inhomogeneties of the zero-bias barrier height. Richardson plot has exhibited curved behaviour due to temperature dependence of barrier height. The activation energy and effective Richardson constant were calculated as 0.16 eV and \(1.79 \times 10^{-8} \hbox {A\,cm}^{-2} \,\hbox {K}^{-2}\) from linear part of Richardson plots, respectively. The barrier height values determined from capacitance–voltage–temperature (\(C\text {--}V\text {--}T\)) measurements decrease with increasing temperature on the contrary of barrier height values obtained from \(I\text {--}V\text {--}T\) measurements.  相似文献   

18.
Lithium–titanium spinel is a promising electrode material for high power and environmentally friendly batteries. We did research on \(\hbox {Li}_{4}\hbox {Ti}_{5}\hbox {O}_{12 }\) (LTO) samples, which were synthesized via solid-state reaction at various conditions in a temperature range from 800 to \(900{^{\circ }}\hbox {C}\) and they were investigated by XRD, SEM, IS, cyclic voltammetry and the galvanostatic charge–discharge tests. X-ray diffractions show that all of the samples have a spinel structure with Fd-3m space group with a small amount of impurities \(\hbox {TiO}_{2}\) (anatase). Lithium ion batteries with LTO-based electrode exhibit excellent reversible capacity of \(\,\sim 180\hbox { mAh}\hbox { g}^{-1}\) in the current density range from 0.1 to 1 C. As an electrode material for rechargeable lithium-ion batteries, LTO-F demonstrates the best rate and cyclic performance from all of the studied samples.  相似文献   

19.
We have developed films of pure polymethylmethacrylate (PMMA) (0.5, 1, 2 and 5%) and potassium permanganate \((\hbox {KMnO}_{4})\)-doped PMMA composite films of thickness (\(\sim 100\, \upmu \hbox {m}\)) using the solution-cast technique. To identify the possible change that happen to the PMMA films due to doping, the optical properties were investigated for different concentrations of \(\hbox {KMnO}_{4}\) by recording the absorbance (A) and transmittance (\(T\%\)) spectra of these films using UV–Vis spectrophotometer in the wavelength range of 300–1100 nm. From the data obtained from the optical parameters viz. absorption coefficient (\(\alpha \)), extinction coefficient (\(\kappa \)), finesse coefficient (F), refractive index (\(\eta \)), real and imaginary parts of dielectric constant (\(\varepsilon _{\mathrm{r}}\) and \(\varepsilon _{\mathrm{i}})\) and optical conductivity (\(\sigma \)) were calculated for the prepared films. The indirect optical band gap for the pure and the doped-PMMA films were also estimated.  相似文献   

20.
Structural, electronic, mechanical and thermodynamic properties of \(\hbox {Rh}_{3}\hbox {Zr}_{x}\hbox {V}_{1-x}\) and \(\hbox {Rh}_{3}\hbox {Hf}_{x}\hbox {V}_{1-x}\) (\(x = 0\), 0.125, 0.25, 0.75, 0.875 and 1) combinations are investigated by means of first-principles calculations based on the density functional theory within the generalized gradient approximation. Here, \(\hbox {Rh}_{3}\hbox {V}\) is chosen as the parent binary compound and the doping elements are zirconium and hafnium with the above-mentioned concentrations. The calculated lattice parameters and elastic modulus of binary \(\hbox {Rh}_{3}\hbox {Hf}\), \(\hbox {Rh}_{3}\hbox {V}\) and \(\hbox {Rh}_{3}\hbox {Zr}\) are in good agreement with the available experimental and other theoretical results. In this study, the following ternary materials viz., \(\hbox {Rh}_{3}\hbox {Zr}_{0.75}\hbox {V}_{0.25}\), \(\hbox {Rh}_{3}\hbox {Hf}_{0.25}\hbox {V}_{0.75}\) and \(\hbox {Rh}_{3}\hbox {Hf}_{0.75}\hbox {V}_{0.25}\) are found to be brittle/more brittle than the parent binary compound \(\hbox {Rh}_{3}\hbox {V}\), whereas the other ternary combinations, namely \(\hbox {Rh}_{3}\hbox {Zr}_{0.125}\hbox {V}_{0.875}\), \(\hbox {Rh}_{3}\hbox {Zr}_{0.25}\hbox {V}_{0.75}\), \(\hbox {Rh}_{3}\hbox {Zr}_{0.875}\hbox {V}_{0.125}\), \(\hbox {Rh}_{3}\hbox {Hf}_{0.125}\hbox {V}_{0.875}\) and \(\hbox {Rh}_{3}\hbox {Hf}_{0.875}\hbox {V}_{0.125}\) are found to be more ductile than \(\hbox {Rh}_{3}\hbox {V}\). The more brittle ternary combination, namely \(\hbox {Rh}_{3}\hbox {Hf}_{0.75}\hbox {V}_{0.25}\) (\(B = 229.32\,\hbox {GPa}\)) has the maximum Young’s modulus, shear modulus and hardness values; whereas the more ductile ternary \(\hbox {Rh}_{3}\hbox {Zr}_{0.25}\hbox {V}_{0.75}\) combination (\(B = 243.54\,\hbox {GPa}\)) is found to have the least values of Young’s modulus, shear modulus and hardness. The band structure, density of states histograms and charge density plots are drawn and discussed. Computed Debye temperature (\(\theta _{\mathrm{D}}\)), Grüneisen parameter (\(\zeta \)) and melting temperature (\(T_{\mathrm{m}})\) of the parent binary compound \(\hbox {Rh}_{3}\hbox {V}\), the more brittle \(\hbox {Rh}_{3}\hbox {Hf}_{0.75}\hbox {V}_{0.25}\) combination and the more ductile \(\hbox {Rh}_{3}\hbox {Zr}_{0.25}\hbox {V}_{0.75}\) combination are given by (895 K, 1.3491, 2788 K), (790 K, 1.2701, 2736 K) and (698 K, 1.7972, 2529 K), respectively.  相似文献   

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