(BaxSr1-x)TiO3/Mg2TiO4组分梯度陶瓷的制备及介电性能

采用叠层法制备了(Bax Sr1-x)TiO3/Mg2TiO4组分梯度陶瓷。采用XRD、SEM、EDS及介电性能测试等手段分析了材料的微观结构和介电性能。结果表明:1375℃烧结3 h的样品较致密、结晶良好,由钙钛矿和尖晶石两相复合而成,且材料内存在Ba/Sr比组分梯度;与不含梯度的复合陶瓷相比,梯度陶瓷不但保持了较大的介电可调度,而且具有较好的介电性能温度稳定性;在室温(20℃)和2 kV/mm电场下,典型样品的介电可调度可达21.9%,当温度升高到60℃时,其可调度仍然保持在较大的值(9.3%)。温度稳定性的改善可归因于不同组分的(Bax Sr1-x)TiO3具有不同的铁电-顺电相转变温度,组分梯度的设计有利于该类材料应用温度范围的拓宽。

Elastic constants and thermodynamic properties of Mg_2Si_xSn_(1-x) from first-principles calculations

This paper stuides the elastic constants and some thermodynamic properties of Mg2SixSn1-x （x = 0, 0.25, 0.5, 0.75, 1） compounds by first-principles total energy calculations using the pseudo-potential plane-waves approach based on density functional theory, within the generalized gradient approximation for the exchange and correlation potential. The elastic constants of Mg2SixSn1-x were calculated. It shows that, at 273 K, the elastic constants of Mg2Si and Mg2Sn are well consistent with previous experimental data. The isotropy decreases with increasing Sn content. The dependences of the elastic constants, the bulk modulus, the shear modulus and the Debye temperatures of Mg2Si and Mg2Si0.5Sn0.5 on pressure were discussed. Through the quasi-harmonic Debye model, in which phononic effects were considered, the specific heat capacities of Mg2SixSn1-x at constant volume and constant pressure were calculated. The calculated specific heat capacities are well consistent with the previous experimental data.

Thermodynamic equilibrium theory-guided design and synthesis of Mg-doped LiFe_(0.4)Mn_(0.6)PO_(4)/C cathode for lithium-ion batteries

Mn-rich LiFe_(1-x)Mn_(x)PO_(4)(x>0.5),which combines the high operation voltage of LiMnPO_(4)with excellent rate performa nce of LiFePO4,is hindered by its sluggish kinetic properties.Herein,thermodynamic equilibrium analysis of Mn^(2+)-Fe^(2+)-Mg^(2+)-C_(2)O_(4)^(2-)-H_(2)O system is used to guide the design and preparation of insitu Mg-doped(Fe_(0.4)Mn_(0.6))_(1-x)Mg_(x)C_(2)O_(4)intermediate,which is then employed as an innovative precursor to synthesize high-performance Mg-doped LiFe_(0.4)Mn_(0.6)PO_(4).It indicates that the metal ions with a high precipitation efficiency and the stoichiometric precursors with uniform element distribution can be achieved under the optimized thermodynamic conditions.Meanwhile,accelerated Li+diffusivity and reduced charge transfer resistance originating from Mg doping are verified by various kinetic characterizations.Benefiting from the contributions of inherited homogeneous element distribution,small particle size,uniform carbon layer coating,enhanced Li+migration ability and structural stability induced by Mg doping,the Li(Fe_(0.4)Mn_(0.6))_(0.97)Mg_(0.03)PO_(4)/C exhibits splendid electrochemical performance.

Role of Microstructure and Spectrum Features on the Catalysis Effect of Ce1-x(Nd0.5Eu0.5)xO2-δSolid Solutions

Nanosized Ce^1-x）（Nd^0.5）Eu^0.5））xO^2-δ） solid solutions（x = 0.00-0.20） were synthesized by means of hydrothermal method.Then the solid solutions were ball milled with Mg2Ni and Ni powders for 20 h to get the Mg2Ni–Ni–5 mol% Ce^1-x）（Nd^0.5）Eu^0.5））xO^2-δ） composites.The structures and spectrum characteristics of the Ce^1-x）（Nd^0.5）Eu^0.5））xO^2-δ） solid solutions catalysts were analyzed systemically.XRD results showed that the doped samples exhibited single phase of CeO2 fluorite structure.The cell parameters and cell volumes were increased with increasing the doped content.Raman spectrum revealed that the peak position of F^2g mode shift to higher wavenumbers and the peak corresponding to oxygen vacancies were observed distinctly for the doped samples.UV-Vis technique indicated that the absorption peaks of Eu^3＋ and Nd^3＋ ions appeared; the bandgap energy was decreased linearly.The electrochemical and kinetic properties of the Mg2Ni–Ni–5 mol% Ce1-x（Nd0.5Eu0.5xO2-δ composites were measured.The maximum discharge capacity was increased from 722.3 mA h/g for x = 0.00 to 819.7 mA h/g for x = 0.16,and the cycle stability S20 increased from 25.0%（x = 0.00） to 42.2%（x = 0.20）.The kinetic measurement proved that the catalytic activity of composite surfaces and the hydrogen diffusion rate were improved for the composites with doped catalysts,especially for the composites with x = 0.16 and x = 0.20.The catalysis mechanism was analyzed from the point of microstructure and spectrum features of the Ce1-x（Nd0.5Eu0.5）xO2-δ solid solutions.

Mg掺杂调制铜铁矿结构CuAlO_(2)多晶的微结构和电热传导

采用固相反应法制备铜铁矿结构的CuAl_(1-x)Mg_(x)O_(2)(x=0、0.005、0.01、0.02、0.03、0.04)多晶,研究了Mg掺杂对CuAlO_(2)多晶结构和性能的影响。Mg掺杂量x从0增加到0.02,样品均为菱方R3m单相,密度依次提高;所有样品呈半导体的热激活电输运行为,x=0.02样品在室温下的电阻率是未掺杂样品的1/19,热激活能显著下降(x=0时,ρ_(300 K)~5.54Ω·m,E_(a)~0.328 eV;x=0.02时,ρ_(300 K)~0.29Ω·m,E_(a)~0.218 eV),载流子浓度增加1个量级,主要因为Mg^(2+)取代Al^(3+),引入新的受主能级。x>0.02时,MgAl_(2)O_(4)尖晶石杂相出现,使其电导率和热导率降低。CuAl_(1-x)Mg_(x)O_(2)多晶的晶格热导率在总热导率中占绝对优势,且随温度升高(300~500 K)而下降,晶格热导Callaway模型模拟表明,所有样品的热阻主要源于点缺陷-声子散射。与x=0相比,x=0.02样品的室温热导率增大1倍(κ~13.0650 W/(m·K)),声速增大,点缺陷-声子散射减弱,分析认为掺Mg形成强的Mg—O键,提高了晶体的弹性模量和声子频率,减弱了本征点缺陷、Mg掺杂引起的质量波动和应变场波动对声子的散射,同时Mg掺杂样品的密度提高也有利于增加热导率。

Giant piezotronic effect in ferroelectric field effect transistor

The piezotronics effect utilizes a piezopotential to modulate and control current in piezo-semiconductors.Ferroelectric materials,as a type of piezoelectric materials,possess piezoelectric coefficients that are significantly larger than those found in conventional piezoelectric materials.Here,we propose a strain modulated ferroelectric field-effect transistor(St-FeFET)utilizing external strain instead of gate voltage to achieve ferroelectric modulation,which eliminates the need for gate voltage.By applying a very small strain(0.01%),the St-FeFET can achieve a maximum on-off current ratio of 1250%and realizes a gauge factor(GF)of 1.19×10^(6),which is much higher than that of conventional strain sensors.This work proposes a new method for realizing highly sensitive strain sensors and presents innovative approaches to the operation methods of ferroelectric field-effect transistors as well as potential applications for coupling of strain sensors and various devices across different fields.