Nanoparticles produced by laser ablation of solids in liquid environment

A review of results on nanoparticles formation is presented under laser ablation of Ag, Au, and Ti solids targets in liquid environments (H₂O, C₂H₅OH, C₂H₄Cl₂, etc.). X-ray diffractometry (XRD), UV-Vis optical transmission spectrometry, and high-resolution transmission electron microscopy (HRTEM) characterise the nanoparticles. The morphology of nanoparticles is studied as a function of both laser fluence and nature of the liquid. The evidence of an intermediate phase of Au-Ag alloy is presented under exposure of a mixture of individual nanoparticles to laser radiation. Self-influence of the beam of a femtosecond laser is discussed under the ablation of the Ag target in liquids under Ti:sapphire laser. The factors are discussed that determine the distribution function of particle size under laser ablation. The influence of laser parameters as well as the nature on the liquid on the properties of nanoparticles is elucidated. PACS 42.62.-b; 61.46.+w; 78.66.-w     

Nucleation of domains under the influence of temperature in Ba5Ti2O7Cl4

It is found that the nucleation of domains can take place in Ba₅Ti₂O₇Cl₄ under the influence of temperature unlike in many other ferroelectrics. The nucleated domain can also be removed from the structure under the randomizing effect of temperature. These observations have been explained on the basis of a nucleation model of Ingle and coworkers suggested for KNbO₃. Similarity of physical situation in KNbO₃ and Ba₅Ti₂O₇Cl₄ regarding the existence of ordered point defects inducing nucleation of domains around them has been highlighted. This surprising similarity is suggested to be due to the physical processes occurring at the phase transition rather than due to any structural resemblance. The nature of nucleation occurring under the influence of temperature is shown to be identical with the nature of nucleation occurring under the influence of externally applied stress, and/or DC electric field. A new technique of identifying point defects responsible for nucleation of domains is reported.     

Magnetic properties of a Na-doped WS<Subscript>2</Subscript> monolayer in the presence of an isotropic strain

The magnetic properties of Na-doped WS₂ monolayer under strain are investigated by ab initio methods. Without strain, the Na-doped WS2 monolayer is a magnetic nanomaterial and the total magnetic moment is about 1.07μ_B. We applied strain to Na-doped WS₂ monolayer from–10% to 10%. The magnetic properties are modified under different strain; the doped system gets a maximum value of at 2.01μ_B 10% tensile strain and a minimum value of at 0μ_B–10% compressive strain. The coupling between 3p states of S and 5d states of W is responsible for the strong strain effect on the magnetic properties. Our studies predict Na-doped WS₂ monolayer under strain to be candidates for application in spintronics.     

Laser induced synthesis of nanoparticles in liquids

The review of results on nanoparticles formation is presented under laser ablation of Ag, Au, and Cu-containing solid targets in liquid environments (H₂O, C₂H₅OH, C₂H₄Cl₂, etc.). X-ray diffractometry (XRD), UV-vis optical transmission spectrometry, and high resolution transmission electron microscopy (HRTEM) characterize the nanoparticles. The morphology of nanoparticles is studied as the function of both laser fluence and nature of the liquid. The possibility to control the shape of nanoparticles by ablation of an Au target by an interference pattern of two laser beams is demonstrated. Formation of alloyed Au-Ag and Ag-Cu nanoparticles is reported under laser exposure of a mixture of individual nanoparticles. The effect of internal segregation of brass nanoparticles is discussed due to their small lateral dimensions. The factors are discussed that determine the distribution function of particles size under laser ablation. The influence of laser parameters as well as the nature on the liquid on the properties of nanoparticles is elucidated.     

拉伸形变下BC3纳米管的能带结构

运用紧束缚能带理论,研究拉伸形变下BC₃纳米管的能带结构. 研究表明:随着拉伸和压缩强度的不断增加,BC₃纳米管的导带能级和价带能级逐渐靠近,最终发生能带交叠. 压缩形变下能带的交叠程度可达05 eV,而拉伸形变下只有02 eV. 对于扶手椅型BC₃纳米管,随着拉伸和压缩的不断增加,BC₃纳米管首先由直接半导体转化为间接半导体,进而发生能带的交叠,表现出金属性. 在无形变时,扶手椅型BC₃纳米 关键词： 3纳米管')" href="#">BC₃纳米管 能隙 拉伸形变 半导体     

Prediction of the phase transition from ferromagnetic perovskite to non-magnetic post-perovskite in SrRuO3 : A first-principles study

The phase transition in the perovskite (Pv) SrRuO₃ under pressure has been studied by using first-principles calculations based on density functional theory. The post-perovskite (Ppv) phase transition of SrRuO₃ will take place under hydrostatic pressure of about 40 GPa. The stability of Ppv- SrRuO₃ is justified by the enthalpy calculations, and this phase transition accompanies volume disconnection and magnetic moment collapses. The crystallographic data and the electronic structure of Ppv- SrRuO₃ are also predicted. The crystal structure of Ppv- SrRuO₃ is similar to that of Ppv- CaRuO₃. A non-magnetic ground state is found in Ppv- SrRuO₃. The strong hybridization of Ru and O is evident in the electronic structures of both phases. We expect that these results will help further understanding of SrRuO₃ under high pressure.     

Features of the electron exchange under grazing scattering of H− ions from a thin aluminum disk

The electron exchange under grazing scattering of a negative hydrogen ion from a thin Al disk is analyzed via the wave packet propagation method that does not use the perturbation theory. The probability of H^? ion fraction formation is calculated as a function of the ion velocity component (v_‖) parallel to the surface. It is shown that the yield of negative hydrogen ions has a bell-like dependence on the value of v_‖ under grazing scattering from a thin disk. The negative ion yield under grazing scattering from a disk is very close to the H^? ion yield under scattering from a film. The maximum of the probability of H^? fraction formation calculated for a thin disk is shifted to smaller values of v_‖ with respect to the maximum of the probability of H^? formation for a thin film.     

A shock tube and modeling study on ignition delay times of pyridine under O2/CO2 atmospheres at elevated pressures

Pressurized oxy-fuel combustion has been attracting increasing attentions due to its improved efficiency and low cost. The present study reports ignition delay times (IDTs) of pyridine under O₂/CO₂ atmospheres within a temperature range from 1202 to 1498 K at pressures from 2.2 to 10 bar for equivalence ratios of 0.5, 1.0, and 2.0. The experimental results were compared with the IDTs of pyridine under O₂/Ar atmospheres from MacNamara et al.. The comparison results indicate that the IDTs of pyridine under O₂/CO₂ atmospheres are evident longer than those under O₂/Ar atmospheres even at low pressure. A modified kinetic model (HUST pyridine Model) was proposed based on our previous mechanism. HUST pyridine Model predicted well the IDTs under both O₂/CO₂ and O₂/Ar atmospheres obtained in shock tubes and the species profiles under both O₂/CO₂ and O₂/N₂ atmospheres obtained in plug flow reactors. HUST pyridine Model, Alzueta Model, and Pyridine LTO Model were evaluated. The results show that the performance of HUST pyridine Model is much better than Alzueta Model, and Pyridine LTO Model. The main reason is that the net reaction rate of C₅H₅N + O = C₅H₄N + OH in HUST pyridine Model is much faster than that in Aluzeta Model. The effect of CO₂ on the ignition of pyridine at elevated pressures has been analyzed in detail. The oxidation pathways of pyridine are also analyzed at different pressures.     

Ion-beam reduction of the surface of tantalum higher oxide

The process of reduction of the surface of higher oxide Ta₂O₅ under irradiation by inert gas (Ar⁺) and chemically active gas (O₂⁺) ions with an energy of 3 keV in high vacuum is investigated by X-ray photoelectron spectroscopy at room temperature. It is found that intermediate oxide TaO₂, lower oxide TaO, and metallic Ta form in the surface layers of Ta₂O₅ under Ar⁺ ion bombardment. An insignificant amount of intermediate oxide TaO₂ forms in the surface layers of Ta₂O₅ under O₂⁺ ion bombardment. Ion-beam-induced reduction of the Ta₂O₅ surface is shown to depend on the type of ion and irradiation dose.     

Electrochemical properties of LiMn<Subscript>2</Subscript>O<Subscript>4</Subscript> prepared with tartaric acid chelating agent

Lithium manganese oxide (LiMn₂O₄) has been prepared using sol-gel technique under acidic (pH = 5.8) and alkaline (pH = 9) conditions with tartaric acid as chelating agent. X-ray studies show that under acidic condition, an Mn₂O₃ peak was observed indicating the presence of impurities. No impurity was observed for LiMn₂O₄ under alkaline conditions. The particle size is mostly in the range of 124 to 185 nm from HR-TEM. The lithium diffusion coefficient, D _Li+ in LiMn₂O₄ is of the order 10^?9 cm² s^?1. By using density functional theory (DFT) calculations, structural properties have been obtained. The specific discharge capacity of the cells with LiMn₂O₄ prepared under alkaline condition and with LiMn₂O₄ prepared under acidic condition discharged at 0.5 C is in the ranges of 132 to 142 and 128 to 139 mAh g^?1, respectively.     

The influence of high pressure on the structural and magnetic properties of Y2Fe17?xMx (M=Si, Al; x=1.7) compounds

The influence of high pressure on the crystal structure of the hexagonal intermetallic compounds Y₂Fe₁₇, Y₂Fe_15.3Al_1.7, and Y₂Fe_15.3Si_1.7 is investigated by neutron diffraction for the first time. It is shown that, under high pressure, the crystal lattice undergoes an isotropic contraction. A correlation of the changes in the Curie temperature with the distance between iron atoms in the dumbbell positions under pressure is revealed. The effect of pressure on the Y₂Fe₁₇ compound is examined at low temperatures. It is found that the magnetostriction in this compound is suppressed under high pressure. __________ Translated from Fizika Tverdogo Tela, Vol. 46, No. 2, 2004, pp. 299–304. Original Russian Text Copyright ? 2004 by Voronin, Kuchin, Glazkov, Kozlenko, Savenko.     

密度泛函理论研究高温高压下UO2弹性与热力学性能

采用第一性原理与准谐德拜模型研究UO2在高温高压条件下的弹性与热力学性能。UO2在高温高压下仍属离子型晶体,并且弹性性能计算表明,四角方向剪切常数在高温与高压下均保持稳定。高温下弹性常数C44没有明显变化,而高压下C44迅速增大。体积模量、剪切模量与杨氏模量均随压强增加而增大;高温条件下,体积模量、剪切模量与杨氏模量也未出现明显的降低,表明UO2在高温度高压下均可保持良好的力学性能。不同压强下,UO2定容热容均随温度迅速增大,并在1000 K 附近趋近于杜隆-佩蒂特极限。德拜温度则随温度降低,随压强升高。在低于室温条件下,热膨胀系数随温度急剧增加;温度继续增加,系数的增加趋势则逐渐变缓。计算结果还表明,UO2的热膨胀系数在相同条件下,远小于其他核材料。     

Temperature-electric field hysteresis loop of multicaloric effects in PbZr0.8Ti0.2O3 thin films

The Multicaloric effect in the PbZr_0.8Ti_0.2O₃ thin films is investigated with the application of sine wave electric field, dc electric field and stress using a phase field method combined with the thermodynamic analysis. The simulation results show that the adiabatic temperature change-electric field curve presents a shape of butterfly in the presence of the sine wave electric field. In order to detect the effect of the sine wave electric field, the multicaloric effect and the domain structures under the direct electric field and the sine wave electric field are compared. It is found that the domain switching behaviors are quite different under the different applied electric fields. And the negative multicaloric effect in the PbZr_0.8Ti_0.2O₃ thin film is attribute to the domain switching under the external field.     

Seven-photon ultraviolet upconversion emission of Er3+ induced by 1,540-nm laser excitation

The multi-photon ultraviolet upconversion emission properties and synergistic effect are investigated in BaSr₂Y₆O₁₂:Er³⁺ phosphor. The deep-ultraviolet emissions centered at 274, 297 and 324-nm are observed under the 1,540-nm excitation, which results from a seven-, six- and six-photon upconversion process, respectively. A synergistic effect is found, which shows that the red emission intensity under 351- and 1,540-nm dual excitation is 4.7 % time stronger than the sum of red emission intensities under the 351 and 1,540-nm single excitation. This phenomenon is attributed to the ⁴I_13/2 and ⁴I_11/2 levels of Er³⁺ from non-radiative transition process under the 351-nm excitation are excited again to ⁴F_9/2 level by absorbing 1,540-nm photon in the 351- and 1,540-nm dual-excitation process.     

Investigation of multiphoton-excited molecules by the method of Raman scattering spectroscopy at an overtone and compound vibrational frequencies

The multiphoton-excited CF₃Br molecules are investigated by the method of Raman light scattering spectroscopy at frequencies of overtones and compound vibrations. It is demonstrated that highly nonequilibrium energy distribution of molecules is formed under excitation. The physical parameters characterizing this distribution, including the part of excited molecules and their average excitation level, are determined. The pattern of vibrational energy distribution formed in the CF₃Br molecules under multiphoton excitation is reconstructed.     

The structural properties of RbMnX<Subscript>3</Subscript> (X = F,Cl, Br) halides

The results of nonempirical calculation of energies of three polytypes (cubic, two-layer hexagonal, and six-layer hexagonal) are given for RbMnX₃ (X = F, Cl, Br) crystals. The calculation is performed using an ionic crystal model with regard for the deformability and the dipole and quadrupole polarizabilities of ions. The behavior of these crystals under the action of hydrostatic pressure is studied. It is demonstrated that, at normal pressure, the RbMnCl₃ and RbMnBr₃ crystals have a six-layer hexagonal structure. At pressures above 11 kbar, RbMnCl₃ passes to a phase with a cubic structure; RbMnBr₃ at pressures above 90 kbar passes to a phase with a two-layer hexagonal structure. The RbMnF₃ crystal under normal conditions has a cubic structure and experiences no phase transformations under the effect of pressure. The obtained results are in satisfactory agreement with the known experimental data.     

Theory of the transverse static magnetoconductivity in a two-dimensional electron-phonon system

The theory of the transverse static magnetoconductivity (σ_xx) in a two-dimensional system under the simultaneous influence of electron-phonon and electron-impurity interactions is presented. The memory function technique is employed to obtain explicit expression for σ_xx under conditions appropriate for typical Shubnikov-deHaas measurements. It is shown that σ_xx involves two different effective masses and scattering times, of which one is the scattering time in the absence of the magnetic field. In addition, the Landau level width appears in σ_xx, thus providing an experimental means for extracting the same from a study of the background conductivity.     

Experimental study of influence of temperature on fuel-N conversion and recycle NO reduction in oxyfuel combustion

Coal combustion in O₂/CO₂ environment was examined with a bituminous coal in which the gas-phase and char combustion stages were considered separately. The effects of temperature (1000–1300 °C) and the excess oxygen ratio λ (0.6–1.4) on the conversion of volatile-N and char-N to NOx were studied. Also, the reduction of recycle NOx by fuel-N was investigated under various conditions. The results show that fuel-N conversion to NO in O₂/CO₂ is lower than that in O₂/N₂. In O₂/CO₂ atmosphere, the volatile-N conversion ratios vary from 1–7% to 15–24% under fuel-rich and fuel-lean conditions, respectively. The char-N conversion ratios are 11–28% and 30–50% under fuel-rich and fuel-lean conditions, respectively. The influences of temperature on the conversion of volatile-N to NO under fuel-rich and fuel-lean conditions are contrary. A significant difference for char-N conversion in fuel-rich and fuel-lean conditions is observed. The experimental data of recycle NO reduction indicate that the reduction of recycle NO by gas-phase reaction can be enhanced by volatile-N addition in fuel-lean condition at high temperature, while in fuel-rich condition, the volatile-N influence cancelled out and the overall impact is small. NO/char reaction competes with the conversion of fuel-N to NO at higher temperatures.     

锐钛矿相纳米TiO2晶体生长动力学及生长过程控制

研究了采用溶胶-凝胶法经由前驱物钛酸四异丙酯水解制备纳米TiO₂结构相变及锐钛矿晶体生长动力学过程. 研究结果表明,在酸性条件下水解,由于高压热处理温度的变化导致锐钛矿向金红石相的结构相变,锐钛矿相纳米TiO₂生长活化能在250℃以下和以上分别为(15.8±4.5)kJ/mol和(80.2±1.0)kJ/mol;而在碱性条件下水解的活化能值为(3.5±0.4)kJ/mol. 在不发生结构相变的条件下,酸性水解条件下锐钛矿相纳米TiO₂生长速 关键词： 2')" href="#">纳米TiO₂ 锐钛矿 生长动力学 溶胶-凝胶法     

冲击波加载下孔隙率对Pb_(0.99)(Zr_(0.95)Ti_(0.05))_(0.98)Nb_(0.02)O_3铁电陶瓷去极化性能的影响

制备了四种不同孔隙率的Pb0.99(Zr0.95Ti0.05)0.98Nb0.02O3铁电陶瓷,并研究了冲击波作用下孔隙率对陶瓷去极化性能的影响.研究表明:短路负载条件下陶瓷的放电波形不随孔隙的加入而改变,均为方波.多孔陶瓷的放电脉冲幅度较低,脉冲宽度较长.释放的电荷量随着孔隙率的增加而减小,与静态电滞回线测试结果一致.多孔陶瓷具有较低的冲击阻抗,改善了与封装介质的阻抗匹配.用Lysne模型拟合了材料在高电阻负载条件下的放电行为,并指出高电阻负载条件下材料的介电常数是静态介电常数的4—5倍,而且材料的介电常数随孔隙率的增加而减小.冲击波通过样品以后,电路的放电时间常数随着孔隙率的增大而增大.随着电阻的增大,样品负载电压增高,材料铁电-反铁电相变受到抑制,电流上升沿变缓,致密陶瓷出现了击穿现象.