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1.
Tetragonal ferroelectric/ferroelectric BaTiO3/PbTiO3\hbox{BaTiO}_3/\hbox{PbTiO}_3 superlattice under uniaxial tensile stress along the c axis is investigated from first principles. We show that the calculated ideal tensile strength is 6.85 GPa and that the superlattice under the loading of uniaxial tensile stress becomes soft along the nonpolar axes. We also find that the appropriately applied uniaxial tensile stress can significantly enhance the piezoelectricity for the superlattice, with piezoelectric coefficient d 33 increasing from the ground state value by a factor of about 8, reaching 678.42 pC/N. The underlying mechanism for the enhancement of piezoelectricity is discussed.  相似文献   

2.
We report improved photo-catalytic properties of single-crystalline TiO2 nanowires surrounded by Pt cubes for methanol electrooxidation under UV illumination. The TiO2–Pt consists of single-crystalline TiO2 nanowires grown along [0 0 1] direction and Pt cube nanoparticles with dominantly exposed {1 0 0} facets confirmed by transmission electron microscopy images and fast Fourier transform patterns. The nanostructure electrode consisting of TiO2 nanowires and Pt cubes exhibits a remarkably improved performance for methanol electrooxidation in acid solution as compared to that of TiO2 nanowires.  相似文献   

3.
Two new organic–inorganic hybrid compounds [\textCu\textI ( \texten ) 2 ( \textH 2 \textO )] 2 { ( \textSiW\textVI 1 1 \textW\textV 1\textO 40 ) 2 [ \textCu\textII ( \texten ) 2 ( \textH 2 \textO )] 2 [\textCu\textII ( \texten ) 2 ] 2 }·6 \textH 2 \textO [{\text{Cu}}^{\text{I}} \left( {\text{en}} \right)_{ 2} \left( {{\text{H}}_{ 2} {\text{O}}} \right)]_{ 2} \left\{ {\left( {{\text{SiW}}^{\text{VI}}_{ 1 1} {\text{W}}^{\text{V}}_{ 1}{\text{O}}_{ 40} } \right)_{ 2} \left[ {{\text{Cu}}^{\text{II}} \left( {\text{en}} \right)_{ 2} \left( {{\text{H}}_{ 2} {\text{O}}} \right)\left] {_{ 2} } \right[{\text{Cu}}^{\text{II}} \left( {\text{en}} \right)_{ 2} } \right]_{ 2} } \right\}{\cdot}6 {\text{H}}_{ 2} {\text{O}} (1) and (H2 L)2[SiW12O40]·H2O (2) [en = ethylenediamine, L = 1,4-bis(3-pyridinecarboxamido)benzene], have been hydrothermally synthesized and characterized by IR, elemental analyses, TG analysis, and single-crystal X-ray diffraction. Structural analyses indicate that compound 1 exhibits an interesting three-dimensional(3D) cross-like supramolecular network through arrangement of a 1D organic–inorganic hybrid chain { ( \textSiW\textVI 1 1 \textW\textV 1 \textO 40 ) 2 [ \textCu\textII ( \texten ) 2 ( \textH 2 \textO )] 2 [\textCu\textII ( \texten ) 2 ] 2 } 2- . \left\{ {\left( {{\text{SiW}}^{\text{VI}}_{ 1 1} {\text{W}}^{\text{V}}_{ 1} {\text{O}}_{ 40} } \right)_{ 2} \left[ {{\text{Cu}}^{\text{II}} \left( {\text{en}} \right)_{ 2} \left( {{\text{H}}_{ 2} {\text{O}}} \right)\left] {_{ 2} } \right[{\text{Cu}}^{\text{II}} \left( {\text{en}} \right)_{ 2} } \right]_{ 2} } \right\}^{ 2- } . The compound 2 consists of protonated L ligand and [SiW12O40]4− anion. The protonated L ligands have been extended into a 2D network via hydrogen-bonding interactions. The guest [SiW12O40]4− clusters have been incorporated into the square voids of the 2D host network as templates. The electrochemical behavior and electrocatalysis of compound 2 bulk-modified carbon paste electrode (2-CPE) have been studied.  相似文献   

4.
The reactions of K3[Cu(CN)4], R3SnCl (R = Me or ph) and 2,3-dimethyl quinoxaline (dmqox) in H2O/acetonitrile media at room temperature afford the 3D-supramolecular coordination polymers (SCP) 3 [ \textCu 2 ( \textCN ) 2 \textdmqox ] ^{ 3}_{\infty } \left[ {{\text{Cu}}_{ 2} \left( {\text{CN}} \right)_{ 2} {\text{dmqox}}} \right] , 1 and 3 [ \textCu 2 ( \textCN ) 4 ·( \textPh 3 \textSn ) 2 ·\textdmqox ] ^{ 3}_{\infty } \left[ {{\text{Cu}}_{ 2} \left( {\text{CN}} \right)_{ 4} \cdot \left( {{\text{Ph}}_{ 3} {\text{Sn}}} \right)_{ 2} \cdot {\text{dmqox}}} \right] , 2. The structure of the tin free 1 consists of parallel zigzag chains connected by dmqox to form 2D-sheets containing hexagonal 18-atom fused Cu6(CN)4(dmqox)2 rings. The interwoven sheets along the a axis are close packed by extensive H-bonds developing 3D-network structure. The structures of 1 and 2 are investigated by elemental analysis IR, NMR and mass spectra. The ESI+ and ESI mass spectra of 2 support its polymeric nature while the ESI+ mass spectrum confirms the expected M. W. suggested by elemental analysis. The 13C-NMR spectrum of 2 supports the fact that the network structure of 2 contains the rhombic [Cu23-CN)2] motif. The structure of 2 was compared with the structure of the reported prototype 3 [ \textCu 2 ( \textCN ) 4 ·( \textPh 3 \textSn ) 2 ·\textqox ] ^{ 3}_{\infty } \left[ {{\text{Cu}}_{ 2} \left( {\text{CN}} \right)_{ 4} \cdot \left( {{\text{Ph}}_{ 3} {\text{Sn}}} \right)_{ 2} \cdot {\text{qox}}} \right] as well as the other related structures.  相似文献   

5.
The piezoelectric ceramic Pb0.94Sr0.06(Zr0.53Ti0.47)O3 + 0.1 wt% (Ni2O3 + Cr2O3) + x wt%CeO2 (PCrNi-4) was prepared using a traditional solid state sintered method. The effects of CeO2 doping on phase structure, microstructure, piezoelectric, and dielectric properties were analyzed by means of XRD, SEM, and electrical property measurements. The results indicate that when CeO2 doping content is 0.3 wt% and sintering temperature is 1,280 °C, the dielectric loss value of the ceramic is the least with a value of 0.00238, and the dielectric factor e33\textT \varepsilon_{33}^{\text{T}} , piezoelectric strain factor d 33, planar electromechanical coupling coefficient K p and mechanical quality factor Q m of the ceramic is 1400, 375 pCN−1, 0.68, and 460, respectively.  相似文献   

6.
The ternary I-III-VI2 semiconductor of CuInSe2 nanoparticles with controllable size was synthesized via a simple solvothermal method by the reaction of elemental selenium powder and CuCl as well as InCl3 directly in the presence of anhydrous ethylenediamine as solvent. X-ray diffraction patterns and scanning electron microscopy characterization confirmed that CuInSe2 nanoparticles with high purity were obtained at different temperatures by varying solvothermal time, and the optimal temperature for preparing CuInSe2 nanoparticles was found to be between 180 and 220 °C. Indium selenide was detected as the intermediate state at the initial stage during the formation of pure ternary compound, and the formation of copper-related binary phase was completely deterred in that the more stable complex [Cu(C2H8N2)2]+ was produced by the strong N-chelation of ethylenediamine with Cu+. These CuInSe2 nanoparticles possess a band gap of 1.05 eV calculated from UV–vis spectrum, and maybe can be applicable to the solar cell devices.  相似文献   

7.
Lead‐free piezoceramics with the composition (1?x)(K1?yNay)NbO3‐x(Bi1/2Na1/2)ZrO3 (KNyN‐xBNZ) were prepared using a conventional solid‐state route. X‐ray diffraction, Raman spectroscopy, and dielectric measurements as a function of temperature indicated the coexistence of rhombohedral (R) and tetragonal (T) phase, typical of a morphotropic phase boundary (MPB) as the BNZ concentration increased and by adjusting the K/Na ratio. High remnant polarization (Pr=24 μC/cm2), piezoelectric coefficient (d33=320 pC/N), effective piezocoefficient ({d_{33}^*}=420 pm/V), coupling coefficient (kp=48%), and high strain (S=0.168%) were obtained at room temperature, but significant deterioration of Pr, {d_{33}^*}, and kp were observed by increasing from room temperature to 160°C (17.5 μC/cm2, 338 pm/V, and 32%, respectively) associated with a transition to a purely T phase. Despite these compositions showing promise for room‐temperature applications, the deterioration in properties as a function of increasing temperature poses challenges for device design and remains to be resolved.  相似文献   

8.

Abstract  

The kinetics of ammonia oxidation with oxygen over a Rh(110) surface were studied in the pressure range 10−5–10−4 mbar. Nitrogen was found to be the preferred product at low partial pressures ratios \textp\texto 2 :\textp\textNH 3 {\text{p}}_{{{\text{o}}_{ 2} }} :{\text{p}}_{{{\text{NH}}_{ 3} }} , while the NO pathway was favored with oxygen rich gas mixtures and at high temperature. The reactive sticking coefficient of O2 reaches up to 0.05 under steady state conditions. Pronounced hysteresis effects in the reaction rates were found in T-cycling experiments. Sustained oscillations in the reaction rates occurred under isothermal conditions at T = 620 K at a total pressure of 4 × 10−5 mbar.  相似文献   

9.
Ultrafine WO3 nanoparticles were synthesized by nanocasting route, using mesoporous SiO2 as a template. BET measurements showed a specific surface area of 700 m2/gr for synthesized SiO2, while after impregnation and template removal, this area was reduced to 43 m2/gr for WO3 nanoparticles. HRTEM results showed single crystalline nanoparticles with average particle size of about 5 nm possessing a monoclinic structure, which is the favorite crystal structure for gas sensing applications. Gas sensor was fabricated by deposition of WO3 nanoparticles between electrodes via low frequency AC electrophoretic deposition. Gas sensing measurements showed that this material has a high sensitivity to very low concentrations of NO2 at 250°C and 300°C.  相似文献   

10.
《Ceramics International》2022,48(18):25880-25893
Flexible composites containing BaTiO3 nanoparticles into Gelatin bio-polymer matrix were designed and investigated. Following the idea that the electric field concentration in corners/edges at the interfaces between dissimilar materials give rise to enhanced effective permittivity in composites, cuboid-like BaTiO3 nanoparticles have been employed as nanofillers into Gelatin matrix by using an inexpensive solution-based processing method. As predicted by finite element method simulations developed for cubic-like inclusions into a homogeneous polymer matrix, the experimental permittivity of xBT-(1-x)Gelatin composites increases when increasing the high-permittivity filler addition. For the composition x = 40 wt% (corresponding to 12 vol% BaTiO3 addition), permittivity reaches εr ~15.7 with respect to εr ~9.8 of pure Gelatine (measured at 105 Hz), while the average piezoelectric coefficient d33 as determined by piezoelectric force microscopy shows a remarkable increase up to 21 pm/V in composites with x = 40 wt%, in comparison to ~7 pm/V in pure Gelatin. By using the experimentally determined material constants, the simulated piezoelectric voltage output vs. time has shown a similar increase (about a doubling of its amplitude) of the harvesting signal in the composite with x = 40 wt% BT, with respect to one of the polymer matrix, thus demonstrating the beneficial role of embedding BT nanoparticles into the biopolymer for increasing the mechanical harvesting response.  相似文献   

11.
《Journal of Catalysis》2005,229(1):206-212
The crystal plane of ceria plays an essential role in determining its catalytic oxidation properties. In this study, single-crystalline CeO2 nanorods with well-defined crystal planes have been synthesized by a facile solution-based hydrothermal method. HRTEM studies reveal that the predominantly exposed planes are the unusually reactive {001} and {110} in the CeO2 nanorods rather than the stable {111} in the irregular nanoparticles. Consequently, it is demonstrated that the CeO2 nanorods are more reactive for CO oxidation than their counterparts, irregular nanoparticles. The present results indicate that catalysts with well-defined reactive sites may be “designed” because of the recent development of morphology-controlled synthesis of nanostructured materials.  相似文献   

12.
A detailed structural investigation of a series of phosphate laser glasses with composition xBi2O3yAl2O3–(100 − xy)NaPO3 (x = 0, 10; y = 0, 5, 10, 15, 20) has been conducted using solid-state nuclear magnetic resonance (NMR) techniques and X-ray photoelectron spectroscopy (XPS). 31P MAS NMR spectroscopy demonstrates that the addition of Bi2O3 and Al2O3 leads to the depolymerization of the phosphorus chain in the process of Q2 → Q1 → Q0. The various phosphorus species (Qn, n = 0, 1, 2) are identified by 31P single pulse, 31P{27Al} rotational echo adiabatic passage double resonance, 31P{27Al} J-coupling-based heteronuclear multiple-quantum coherence, and 1D refocused INADEQUATE experiments. The results of 23Na{31P}, 31P{23Na}, 27Al{31P} rotational echo double resonance, and XPS consistently confirm that Na+, Al3+, and Bi3+ ions are all bound by phosphorus tetrahedron [PO4]3−. No bond is formed between these glass modifiers. Based on the complementary evidence from previous experiments, comprehensive local structure models are developed for these Bi2O3–Al2O3–NaPO3 glasses.  相似文献   

13.
《Ceramics International》2023,49(6):9042-9051
As the rate of application of multilayer ceramic capacitors (MLCCs) in small electronic devices increases, the use of the raw material barium titanate (BaTiO3) with a small particle size and excellent dielectric properties becomes needed. Due to the size effect, small-sized BaTiO3 generally has a cubic phase structure with a low dielectric constant, which limits its use in MLCCs. We report the preparation of small cubic phase Y-doped BaTiO3 (BYT) nanoparticles by a hydrothermal method and the preparation of highly dielectric tetragonal phase BYT ceramics based on this method. XRD and Raman analysis showed that the BYT nanoparticles are in substable cubic phases. The particle size of the BYT nanoparticles, measured by TEM, XRD, and BET, was approximately 35 nm. The dielectric properties of the BYT ceramics were tested by an impedance analyzer, and the dielectric constant of the BYT ceramics was 7547 when the Y3+ doping amount was 0.5 mol%. In addition, the substitution mechanism of Y3+ doping in BaTiO3 crystals was proposed from XPS and EPR analysis. The results demonstrate for the first time that the 50 nm cubic phase BaTiO3 powder can meet the needs of next-generation high-capacity MLCCs. This work provides a reference for small cubic phase BaTiO3 as a dielectric material for high-capacity MLCCs.  相似文献   

14.
Dielectric properties and ferroelectric domain configurations of multiferroic xBaTiO3–(1 ? x)BiFeO3 (x = 0.10–0.33) solid solutions synthesized by conventional solid-state reaction, were reported. A structural transition from rhombohedral to pseudo-cubic structures appeared around x = 0.33, and the formation of impurity phase of Bi2Fe4O9 was effectively depressed by doping BaTiO3. Dielectric constants of xBaTiO3–(1 ? x)BiFeO3 solid solutions decreased with increasing the frequency, and the degree of decrease was related to the doping content of BaTiO3. Transmission electron microscopy images revealed that the ferroelectric domain configurations in the multiferroic BiFeO3–BaTiO3 solid solutions with rhombohedral symmetry, exhibited a wavy character whereas a predominant intricate domain structure with fluctuating mottled contrast was observed in the multiferroic BiFeO3–BaTiO3 solid solution with pseudo-cubic phase structure. The presence of 1/2{1 1 1} superlattice spots in the selected area electron diffraction patterns taken from the multiferroic BiFeO3–BaTiO3 solid solutions with rhombohedral symmetry indicated that the ordered regions have a doubled perovskite unit cell.  相似文献   

15.
The reactions of K3[Cu(CN)4], R3SnCl and bipodal ligands, where R = (n-Bu)3SnCl and L = quinoxaline (qox) and R = Me3SnCl and L = quinazoline (qaz) afford the red needle crystals of 3 [ \textCu2 ( \textCN )2 m\text-(qox) ]2 {}_{\infty }^{3} \left[ {{\text{Cu}}_{2} \left( {\text{CN}} \right)_{2} \mu {\text{-(qox)}}} \right]_{2} , 1 and the orange needle crystals of [Cu2(CN)2μ(qaz)]n, 2. 1 was subjected to single crystals X-ray study while 2 was investigated by IR, 1H NMR and mass spectra as well as TGA. The crystal structure of 1 exhibits puckered CuCN chains connected by qox molecules forming 2D-sheets. The 2D-sheets contain hexagonal nets stacked in A···A···A fashion. The paralleled sheets are close packed via extensive H-bonds, π–π stacking, strong Cu-Cu interaction and short Cu–C contacts which develop 3D-network. Unique rhombic [Cu23-CN)2] motifs result as consequence of interwoven of the 2D-sheets. The structure of 2 exhibits different XRPD pattern than that of 1 although, the two structures have the same Cu:CN:L stoichiometric ratio. The emission spectra of 1 and 2 display bands around 390, 420 and 475 nm corresponding to MC transition, 1(n,π*) → So and MLCT, respectively. Thus, 1 and 2 can be considered as examples of room-temperature luminescent Cu-containing polymers which can be used in applications as molecular sensing systems. Also, the oxidative degradation of Metanil Yellow (MY) dye has been investigated by hydrogen peroxide catalyzed by 1 or 2. The catalytic activity of 1 is more pronounced than that of 2.  相似文献   

16.
Summary The electrochemical reduction of NO 3 - in 0.1 M K2SO4 and 0.05 M KNO3 solution was studied on various electrodes in two different cell configurations, a divided and an undivided one. The products in all cases were NO 2 - , NH3, N2 and small amounts of NO2 and NO. The more efficient cathodes as regards the conversion of NO 3 - to N2 were Al and the alloy Sn85Cu15, where the selectivity for nitrogen formation was 43 and 35.3% at –1.8 and –2.0 V, respectively. The kinetic analysis of the experimental results was carried out by numerical solution of the resulted differential equations according to the scheme: The rate constants on Sn85Cu15 at –2.0 V for the above reactions were found to be k1=4.9 × 10–4 s–1, k2=1.76 × 10–5 s–1 and k3=7.66 × 10–3 l mol–1 s–1. At more negative potential more NO 2 - ions reduced and converted either to N2 or NH3. The rate constant of reduction of nitrate was almost the same in the region between –1.7 and –2.0 V, because the reaction is limited by the diffusion. In order to oxidize a part of the undesirable byproducts NO 2 - and NH3 at the anode of the cell to nitrate and nitrogen respectively, an undivided cell was used. Comparison between the two cell configurations indicated that, although in the undivided cell the % removal efficiency of nitrate was lower than that in the divided one, the selectivities of NO 2 - and NH3 were 4.8 and 2.2 times lower, respectively.  相似文献   

17.
Calcium montmorillonite (Ca-MMT), sodium montmorillonite (Na-MMT) and acid-activated montmorillonite (AAM), and their Cu2+-exchanged montmorillonites (Cu-MMT), Cu*Ca-MMT, Cu*Na-MMT and Cu*AAM, were used to study the antibacterial activity on Escherichia coli K88. AAM, Na-MMT and Ca-MMT showed some ability to reduce bacterial plate counts by 37.4%, 13.4% and 14.2%, respectively. Exchanging the montmorillonite with Cu2+ enhanced the antibacterial activity. The Cu*AAM, Cu*Na-MMT and Cu*Ca-MMT reduced the bacterial plate counts by 98.6%, 97.5% and 95.6%. Attempts were made to study the desorption of Cu2+ by washing with sterile physiological saline solution for 24 h. The washing solutions did not show a significant reduction of the bacterial counts, while the washed Cu-MMT retained their full antibacterial activity. Results from time-depending studies showed that the reduction of the bacterial counts by Cu-MMT increased during 24 h. The ranking of antibacterial activity of the three Cu-MMT was as Cu*AAM > Cu*Na-MMT > Cu*Ca-MMT. E. coli thrived optimally in a pH range from 5 to 7. Beyond this range, the bacterial counts decreased as the pH reduced the viability of the bacteria. The ranking of antibacterial activity of Cu-MMT was not affected by pH. The mechanism by which bacterial counts are reduced may involve the enhanced affinity of Cu-MMT for E. coli K88 and the antibacterial activity of Cu2+.  相似文献   

18.
Barium titanate (BaTiO3) powders were synthesized from commercially available raw materials (BaCO3 and rutile) without particular mechanochemical processing by solid-state reactions in water vapour atmosphere. The formation rate of BaTiO3 was accelerated by water vapour and single phase of BaTiO3 was obtained by calcination at 700 °C for 4 h in water vapour atmosphere, though high temperature (850 °C for 2.5 h) was required by calcinations in air to complete the reaction. The formation kinetics followed the Valensi–Carter equation, which suggested that the reaction proceeded by a diffusion controlled process. The apparent activation energy for the formation of BaTiO3 in air and water vapour atmosphere was estimated to be 361 ± 20 kJ/mol and 142 ± 17 kJ/mol, respectively. Water vapour is considered to enhance thermal decomposition of BaCO3 and formation of BaTiO3 by attacking surface Ti–O–Ti bonds in TiO2, increasing partial pressure of Ba(OH)2, and producing vacancies in the BaTiO3 structure.  相似文献   

19.
In this work was investigated the effect of the addition of barium titanate (BaTiO3) on electrical properties of two chemically recyclable thermosets, polyhemiaminal (PHA) and polyhexahydro‐s‐triazine (PHT), both fabricated from 4,4′‐oxydianiline (ODA), an ether derivative of aniline and paraformaldehyde. Thermal and mechanical properties as well as chemical recyclability of the two polymers and their nanocomposites/nanodielectrics were also investigated. In addition, a quantitative analysis was conducted of the nanoparticle dispersion in the PHA‐/PHT‐based BaTiO3‐containing nanocomposites using transmission electron microscopy imaging and the nearest‐neighbor distance index and this index was used to analyze the investigated properties in connection with the proper mechanisms. Regarding the electrical properties for both neat polymers, conductivity values of the order of 10?8 S m?1 at 100 Hz were observed and dielectric constant values close to 2.80 for both polymers at 1 kHz. The addition of 0.5 wt% of BaTiO3 ferroelectric nanoparticles increased by about 44% the dielectric constant (1 kHz) and conductivity (102 Hz) of the PHA‐based nanocomposite. PHA and PHT exhibited glass transition temperature (Tg) values in the range 125–180 °C. An increase of 7 °C in Tg was observed after the incorporation of 0.5 wt% of BaTiO3 into PHA. Concerning the mechanical properties, values in the range 4.00–4.45 GPa for reduced modulus and 0.30–0.43 GPa for nanohardness for PHA and PHT polymers were observed. Independently of filler content or polymer matrix, both mechanical properties were enhanced after the addition of BaTiO3. The chemical recycling of PHA/PHT and all nanocomposites in the initial ODA reagent after sulfuric acid treatment was successfully characterized using the NMR and Fourier transform infrared spectroscopic techniques. © 2018 Society of Chemical Industry  相似文献   

20.
In this work, we report a lead‐free piezoelectric ceramic of (0.9‐x)NaNbO3‐0.1BaTiO3xBaZrO3, and the effects of BaZrO3 on the phase structure, microstructure, electrical properties and temperature stability are investigated. A morphotropic phase boundary‐like region consisting of rhombohedral (R) and tetragonal (T) phases is constructed in the compositions with = 0.035‐0.04. More importantly, in situ temperature independence of the piezoelectric effect {piezoelectric constant (d33) and strain} can be achieved below the Curie temperature (Tc). Intriguingly, the electric field‐induced strain is still observed at ≥ Tc due to the combined actions of the electrostrictive effect and the electric field‐induced phase transition. We believe that NaNbO3‐based ceramics of this type have potential for applications in actuators and sensors.  相似文献   

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