Response improvement for In2O3-TiO2 thick film gas sensors

In₂O₃ is introduced into TiO₂ by sol-gel method to improve the response/recovery rate and expand the operating temperature, when the In₂O₃-TiO₂ mixed system is exposed to H₂/O₂. The sensor is fabricated by thick film technology. Influence of In₂O₃ on the film phase composition, microstructure and sensing characteristics is discussed. Dynamic response properties show that the operating temperature of the mixed system is at 500-800 °C, which is about 600-800 °C for pure TiO₂. Response time of the sensor is about 200-260 ms (millisecond) while recovery time is in a narrow range of 60-280 ms at 600-800 °C. The promoting mechanism is suggested to arise from the introduction of In₂O₃ and grain size effect of the sensing film. Then In₂O₃-TiO₂ thick films are surface-modified by Pt using chloroplatinic acid. The promoting effect of Pt dispersed on the mixed system is also investigated.     

包钴型γ-Fe2O3磁粉矫顽力的研究

包钴型γ-Fe₂O₃磁粉分为包钴γ-Fe₂O₃(简记为Co-γ-Fe₂O₃)和包钴包亚铁γ-Fe₂O₃(简记为CoFe-γ-Fe₂O₃)两种,它们的矫顽力可比γ-Fe₂O₃磁粉的提高100至400Oe左右,本工作对这两种磁粉矫顽力增大的原因作了探讨,认为它们矫顽力增大的机制不同:CO-γ-Fe₂O₃矫顽力增大是由于表面包覆一层Co(OH)₂使表面各向异性增大,而CoFe-γ-Fe₂O₃则是由于表面包覆的是钴铁氧体,γ-Fe₂O₃与钴铁氧体之间发生耦合作用,使矫顽力增大。     

量子系统的Ergodlc定理

在Klein的一篇论文中,他指出了当量子系统的ergodic定理成立时,所有的运动积分R必须满足以下的条件:sumfrom r″to (α′γ″|R|β′γ″=常数δ_α′β′, (1) 式中α′,β′,…等代表我们所研究的系统的态,γ″,ρ″…等代表舆我们的系统共同平衡的外界的态。在这篇短文中,我们指出:Klein的讨论在一点是可以怀疑的,而用了另一个方法来讨论ergodic定理。这样,我们证明了(1)式只是在引入另一个假定——外界各态有同一个几率——后才是充分的,而在一般情形下,我们须要更强的条件,例如(α′ρ″|R|β′γ″)=常数δ_α′β′δ_ρ″γ″。(2)以上相当於没有运动积分的情形。有运动积分的情形也在本文中作了讨论。     

Optical properties of new photovoltaic materials: AgCuO2 and Ag2Cu2O3

AgCuO₂ and Ag₂Cu₂O₃ are new types of semiconductor materials. A theoretical study is presented for both the electronic and optical properties of these new photovoltaic materials in the framework of density functional theory (DFT). The calculated cohesive energy is −3.606 eV/atom and −3.723 eV/atom for Ag₂Cu₂O₃ and AgCuO₂, respectively. Electronic calculations indicate that AgCuO₂ is a small band gap semiconductor and Ag₂Cu₂O₃ is metallic in nature. The valency state of Cu is divalent in Ag₂Cu₂O₃ and trivalent in AgCuO₂. The largest absorption coefficient of CuO₂ is 332 244, which is significantly greater than that of CuInSe₂, CdTe, GaAs, etc.     

Crystallization of Ge2Sb2Te5 phase—change optical disk media

In this paper, the crystallization behaviour of amorphous Ge₂Sb₂Te₅ thin films is investigated using differential scanning calorimetry), x-ray diffraction and optical transmissivity measurements. It is indicated that only the amorphous phase to face-centred-cubic phase transformation occurs during laser annealing of the normal phase-change structure, which is a benefit for raising the phase-change optical disk's carrier-to-noise ratio (CNR). For amorphous Ge₂Sb₂Te₅ thin films, the crystallization temperature is about 200℃ and the melting temperature is 546.87℃. The activation energy for the crystallization, E_a, is 2.25eV. The crystallization dynamics for Ge₂Sb₂Te₅ thin films obeys the law of nucleation and growth reaction. The sputtered Ge₂Sb₂Te₅ films were initialized by an initializer unit. The initialization conditions have a great effect on the reflectivity contrast of the Ge₂Sb₂Te₅ phase-change optical disk.     

An ab initio study of 5d noble metal nitrides: OsN2, IrN2, PtN2 and AuN2

The crystal structure, phonon stability, elasticity and electronic properties of four noble metal nitrides (PtN₂, IrN₂, OsN₂ and AuN₂) with three structural types (pyrite, marcasite and CoSb₂ structure) were studied by first principles calculations. In agreement with experiments and previous theoretical predictions, it is found that the most stable structure for OsN₂ is marcasite, for PtN₂ is pyrite, and for IrN₂ is the CoSb₂ structure. It is found that these three compounds are thermodynamically metastable with respect to solid N₂ and the metal at zero pressure. The structures are mechanically and dynamically stable. The lowest energy structure of AuN₂ is the CoSb₂ structure. The formation energy of AuN₂ is found to be very high compared to the other three nitrides studied here. This underlies the experimental difficulty in the synthesis of this compound. OsN₂ is found to be metallic, while IrN₂ and PtN₂ are both semiconductors.     

Simultaneous formation of contacts and diffusion barriers for VLSI by rapid thermal silicidation of TiW

The formation of (Ti_xW_1–x)Si₂/(Ti_xW_1–x)N, by rapid thermal processing of Ti_xW_1–x on Si in an N₂ ambient is investigated. An activation energy of 1.7 eV is obtained for silicide formation. A distinct snow-ploughing of As atoms is observed during silicide formation whereas the interfacial B concentration decreases with increasing silicide formation temperature. The diffusion barrier properties of the (Ti_xW_1–x)Si₂/(Ti_xWi_1–x)N stack in contact with Al is investigated upon post-metal annealing. No interaction between the layers is found for temperatures as high as 475°C after 60 min. The improved thermal stability of the (Ti_xW_1–x)N layer in contact with Al is attributed to nitrogen blocking of the grain boundaries.     

离子有限拉摩半径效应对低频漂移波本征模的影响

本文指出,对于S_y≡k_y²ρ_i²≥1的短波模,通常所用的漂移波本征方程是不自洽的,由此而得出“普适模是稳定的”结论也是不恰当的。我们在弱剪切条件(L_s/r_n>>[2T_im_i/Tm_e]^1/2)下导出了适合S_y≥1的方程,并讨论了其近似表式。在最低级近似下(主要是忽略k′ρ_i²项),证明了不存在γ≥0的不稳定模式。考虑一级修正项后,尚不能得出确定的结论。 关键词：     

Magnetic anisotropy and magnetostriction in a Lu2Fe17 intermetallic single crystal

The magnetic anisotropy and magnetostriction of a Lu₂Fe₁₇ single crystal are investigated. The temperature dependence of the magnetic anisotropy constant K ₁ is measured in the range 4.2–300 K. The results obtained are compared with the data calculated using the Callen theoretical formula. It is found that the temperature dependence of K ₁ for the Lu₂Fe₁₇ single crystal deviates from the temperature curve predicted by the localized single-ion model. The inference is drawn that a certain contribution to the magnetic anisotropy of the Lu₂Fe₁₇ compound is made by the magnetic anisotropy of band electrons. The longitudinal, transverse, and volume magnetostrictions of the Lu₂Fe₁₇ single crystal are studied, and the magnetostriction constants are calculated. It is demonstrated that the exchange integral of Lu₂Fe₁₇, as for the Y₂Fe₁₇ compound, substantially depends on the atomic volume. This dependence is responsible for the considerable difference between the Curie temperatures of the Lu₂Fe₁₇ and Y₂Fe₁₇ compounds. It is revealed that the magnetostriction of the Lu₂Fe₁₇ single crystal in the temperature range of the magnetic phase transition is determined by the two-ion exchange and single-ion contributions.     

磁泡石榴石外延膜磁参数漂移的起因和抑制方法

本文研究了磁泡石榴石外延膜磁参数漂移的起因和抑制方法。我们认为石榴石外延膜磁参数漂移的主要起因是过饱和熔体的非自发成核和长大,并利用熔体营养料的有效浓度R_eff=R₄-R_n-R_e予以解释。外延过程熔体营养料浓度的消耗是R_n+R_e,而且R_n比R_e对石榴石外延膜磁参数的影响大得多。在回温控制过程中R_n=0,其熔体是相对稳定的。衬底的搅拌可加速熔体的非自发成核和长大。 关键词：     

插层化合物LiV2O4的制备与实验研究

用化学方法从层状化合物LiVO₂中引出0.5个Li后得到Li_0.5VO₂,再经过低温真空热处理制备出尖晶石结构化合物LiV₂O₄,类似地处理Li_0.465VO₂,得到缺Li的Li_0.93V₂O₄,LiV₂O₄和Li_0.93V 关键词：     

VOxH2O (x= 1——-5)团簇的结构及稳定性研究

用密度泛函理论(DFT),在B3LYP/DZP水平上对H₂O分子与VO_x形成的团簇VO_xH₂O (x= 1---5)进行结构优化、能量和频率的计算,研究了团簇的稳定结构、稳定性和频率特性.结果表明VO_xH₂O (x= 1---5) 团簇的基态构型的电子态均为²A, 对称性均属C₁对称点群,其中x= 1, 4, 5时基态构型中水分子已被解离.水分子倾向于吸附在团簇VO_x上, 形成VO_xH₂O (x= 1---5)团簇. VO_xH₂O (x= 1---5)团簇中, VO_xH₂O (x= 1,4,5) 的化学活性小于VO_xH₂O (x= 2, 3)的化学活性.此外, H₂O体系与VO_x之间的结合强弱顺序为 VO₄H₂O > VO₅H₂O > VOH₂O > VO₃H₂O > VO₂H₂O. VOH₂O中离解出H原子的能量为2.88 eV和从VO₅H₂O中离解出OH基团的能量为2.38 eV, 均在可见光能量范围内,这两个化学过程有可能在可见光催化条件下进行.可以通过团簇的红外和拉曼谱特征, 初步判断水分子在VO_xH₂O团簇中是否离解.     

Invariance of the Massless Field Equations under Changes of the Metric

It is shown that the Maxwell equations with sources, expressed in terms of the covariant tensor field F_ijand the current density four-vector Jⁱ, are invariant under the change of the metric g_ijby g_ij = g_ij+ l_il_jif l_iis a principal null direction of F_ijand that an analogous result holds in the case of the massless Klein-Gordon equation if l_iis null and orthogonal to the gradient of the field and in the case of the null dust equations if l_iis parallel to the dust four-velocity. An elementary proof of the following generalization of the Xanthopoulos theorem is also given: Let (g_ij, F_ij) be an exact solution of the Einstein-Maxwell equations and let l_ibe a principal null direction of F_ij, then (g_ij+ l_il_j, F_ij) is also an exact solution of the Einstein-Maxwell equations if and only if (l_il_j, 0) satisfies the Einstein-Maxwell equations linearized about the background solution (g_ij, F_ij). Furthermore, analogous theorems, where the source of the gravitational field is a massless Klein-Gordon field or null dust, are presented.     

Critical addition of Ti to maintain the Tc of (Bi1-zTiz)1.6Pb0.4Sr2Ca2Cu3Ox above 100 K

Influence of Ti addition (substitution for Bi) on T_c is studied for high T_c (Bi_1-zTi_z)_1.6Pb_0.4Sr₂Ca₂Cu₃O_x. We found a critical Ti addition to keep high T_c (above 100 K) of the (Bi_1-zTi_z)_1.6Pb_0.4Sr₂Ca₂Cu₃O_x. The high-T_c phase can be found up to 0.5 of z. It is explained by an abnormal T_c change which is found from 0.3 to 0.5 of z. Based on results of the electrical resistivity and x-ray diffraction, an abnormal T_c change is discussed.     

Investigation of Sb-rich Si2Sb2+x Te6 material for phase change random access memory application

Sb-rich Si₂Sb_2+x Te₆ (x=0, 1.4, 10) thin films are proposed to present the feasibility for electronic phase change memory application. The crystallization behavior is improved by adding Sb into the material. The crystallization temperature is about 506, 502, and 450 K for Si₂Sb₂Te₆, Si₂Sb_3.4Te₆, and Si₂Sb₁₂Te₆ films, respectively, and the corresponding activation energy is in the range from 2.70 to 1.69 eV, which is expected for a low-power and high-speed SET operation. In addition, maximum temperature for a 10 year data lifetime is estimated to be 133, 127, and 98°C, respectively. The memory devices are successfully fabricated employing these films, promising that the stability of the low-resistance crystalline state is improved by adding Sb into the stoichiometric Si₂Sb₂Te₆ material, and the reversibility of the device is also realized for the Si₂Sb₁₂Te₆-based cell.     

Y1-xCaxBa2Cu3-xMxO7-δ (M=Fe,Ni)体系的超导电性

本文报道,通过对Y_1-xCa_xBa₂Cu_3-xMxO_7-δ(M=Fe,Ni)体系样品的晶体结构、氧含量、正常态电阻率与温度的关系,以及超导转变温度等测量,并与YBa₂Cu_3-xMxO_7-δ(M=Fe,Ni)体系进行比较,发现Y_1-xCa_xBa₂Cu_3-xFe_xO_7-δ体系的T_c显著地高于相应x值的YBa₂Cu_3-xFe_xO_7-δ体系,而Y_1-xCa_xBa₂Cu_3-xNi_xO_7-δ体系则相反,T_c低于仅Ni替代的体系,表明Ca和Fe同时替代时两者引起的载流子浓度(n_H)变化相互补偿,抑制了仅Fe替代时引起的n_H和T_c急剧下降;而作Ca和Ni同时替代时主要的不是两者引起载流子浓度变化的相互补偿,Ca和Ni替代效应之间的关联较弱。作者认为,对Y_1-xCa_xBa₂Cu_3-xFe_xO_7-δ体系属于CuO₂平面外的元素替代,这时载流子浓度是决定Tc的主要因素;而对Y_1-xCa_xBa₂Cu_3-xNi_xO_7-δ体系,由于Ni²⁺离子主要占据Cu(Ⅱ)位,它导致磁拆对效应,Ni²⁺离子的拆对效应是引起T_c下降的直接原因。 关键词：     

Preparation of nanowall Bi2S3 films by chemical bath deposition

Nanowall shaped Bi₂S₃ films were prepared by chemical bath deposition in which ammonium citrate and thioacetamide were used as chelating reagent and sulfur source, respectively. The nanowall Bi₂S₃ films show large-surface-area nanowall shaped morphology. It is found that the pH value (pH = 6 or pH = 6.5) of the solution is a crucial parameter to obtain the nanowall shaped Bi₂S₃ films. The composition of the nanowall Bi₂S₃ films is close to the stoichiometric ratio of Bi₂S₃. The absorption edge of the nanowall shaped Bi₂S₃ films is located at around 900 nm, indicating that the optical bandgap of the Bi₂S₃ films is around 1.4 eV. The nanowall Bi₂S₃ films show obvious photo-sensitivity. The photo-to-dark conductivity ratios of the nanowall Bi₂S₃ films prepared at pH = 6 and pH = 6.5 are all around 50. This value is around five times than that of the non-nanowall shaped Bi₂S₃ films which is prepared at pH = 7.     

Tl2Ba2Ca2Cu3Oy超导体磁通钉扎能的分布

描述一种测量高温超导体磁通钉扎能U₀及其分布的新方法,此方法主要之点是测量磁化后样品的零场临界电流随时间的变化,利用这一方法测量Tl₂Ba₂Ca₂Cu₃O_y的U₀值分布(T=78K)。根据所得结果,对已报道的U₀值的分散性提出一种新解释。 关键词：     

10BaF2:NaF, Na3AlF6/TiO2 composite as a novel visible-light-driven photocatalyst based on upconversion emission

A rare-earth free upconversion luminescent material, 10BaF2：NaF, Na3AIF6, is synthesized by a hydrothermal method. The study of fluorescent spectrum indicates that it can convert visible light （550 nm-610 nm） into ultraviolet light （290 nm 350 nm）, and two emission peaks at 304 nm and 324 nm are observed under the excitation of 583 nm at room temperature. Subsequently, 10BaF2：NaF, Na3AIF6/TiO2 composite photocatalyst is prepared and its catalytic activity is evaluated by the photocatalytic reduction of CO2 under visible light irradiation （λ〉 515 nm）. The results show that 10BaF2：NaF, Na3AIF6/TiO2 is a more effective photocatalyst for CO2 reduction than pure TiO2, their corresponding methanol yields are 179 and 0 μmol/g-cat under the same conditions. Additionally, the mechanism of photocatalytic reduction of CO2 on 10BaF2：NaF, Na3AIF6/TiO2 is proposed.     

Adsorption of NH3 and NO2 molecules on C48B6N6 heterofullerene: A DFT study on electronic properties

Adsorption of NH₃ and NO₂ molecules on the external surface of C₄₈B₆N₆ heterofullerene is investigated using DFT method. Attachment of NH₃ and NO₂ on C₄₈B₆N₆ heterofullerenes are compared with the bare C₄₈B₆N₆ model optimized at the B3LYP/6-31G^? level. The high surface binding energies indicates that ammonia undergoes chemical adsorption and could be compatible with the long recovery time but C₄₈B₆N₆ should be good NO₂ sensors with quick response as well as short recovery time. Total (TDOS) and partial (PDOS) density of state calculations is also considered to elucidate the difference in the NH₃ and NO₂ gas detection mechanism of C₄₈B₆N₆. The overlap population density of state (OPDOS) indicated that the chemical adsorption is due to the overlap of atomic orbitals below the Fermi level. The calculated results suggest that the C₄₈B₆N₆ heterofullerene is a suitable sensor material for NO₂ and is an ideal material for elimination and filtering of ammonia.