Amorphous Er₂O₃ films for antireflection coatings     

朱燕艳  方泽波  刘永生 《海洋学报(英文版)》2010,29(9)

This paper reports that stoichiometric, amorphous, and uniform Er₂O₃ films are deposited on Si(001) substrates by a radio frequency magnetron sputtering technique. Ellipsometry measurements show that the refractive index of the Er₂O₃ films is very close to that of a single layer antireflection coating for a solar cell with an air surrounding medium during its working wavelength. For the 90-nm-thick film, the reflectance has a minimum lower than 3% at the wavelength of 600 nm and the weighted average reflectances (400--1000 nm) is 11.6%. The obtained characteristics indicate that Er₂O₃ films could be a promising candidate for antireflection coatings in solar cells.  相似文献   

Ab initio calculations on the O<Subscript>2</Subscript><Superscript>3−</Superscript>-Y<Superscript>3+</Superscript> center in CaF<Subscript>2</Subscript> and SrF<Subscript>2</Subscript>: its electronic structure and hyperfine constants     

Sanda M. Botis  Davy A. Adriaens  Yuanming Pan 《Physics and Chemistry of Minerals》2009,36(1):1-7

The O₂ ^3?-Y³⁺ center in fluorite-type structures (CaF₂ and SrF₂) has been investigated at the density functional theory (DFT) level using the CRYSTAL06 code. Our calculations were performed by means of the hybrid B3PW method in which the Hartree–Fock exchange is mixed with the DFT exchange functional, using Becke’s three parameter method, combined with the non-local correlation functionals by Perdew and Wang. Our calculations confirm the stability and the molecular character of the O₂ ^3?-Y³⁺ center. The unpaired electron is shown to be almost exclusively localized on and equally distributed between the two oxygen atoms that are separated by a bond distance of 2.47 Å in CaF₂ and 2.57 Å in SrF₂. The calculated ¹⁷O and ¹⁹F hyperfine constants for of the O₂ ^3?-Y³⁺ center are in good agreement with their corresponding experimental values reported by previous electron paramagnetic resonance and electron nuclear double resonance studies, while discrepancies are notable for the ⁸⁹Y hyperfine constants.  相似文献   

引力常数变化对地球自转长期变化的影响   总被引：1，自引：0，他引：1  

李林森 《中国科学院上海天文台年刊》2002,(1)

探讨和估计了各种引力常数变化理论对地球角速度和日长变化的影响。各种引力常数变化理论包括了引力常数G随时间、空间以及速度变化等几个方面的影响。另外也估计了对地球自转角速度和日长变化产生的效应。其中有些研究对探讨地球自转变化也有启发意义。  相似文献   

Perfect Fluid Lrs Bianchi I With Time Varying Constants     

J. A. Belinchón 《Astrophysics and Space Science》2006,302(1-4):161-170

It is investigated the behaviour of the “constants” G, c and Λ in the framework of a perfect fluid LRS Bianchi I cosmological model. It has been taken into account the effects of a c-variable into the curvature tensor. Two exact cosmological solutions are investigated, arriving t the conclusion that if q < 0 (deceleration parameter) then G, c are growing functions on time t while Λ is a negative decreasing function on time.  相似文献   

Dependence of the effective rate constants for the hydrogenation of CO on the temperature and composition of the surface     

N. Watanabe  A. Nagaoka  H. Hidaka  T. Shiraki  T. Chigai  A. Kouchi 《Planetary and Space Science》2006,54(11):1107-1114

Experiments on the hydrogenation of CO on pure CO and CO-H₂O mixed ice have been performed at temperatures between 8 and 20 K. We obtained temperature and compositional dependence of the effective reaction rate constants. Results indicate that hydrogenation proceeds efficiently on pure solid CO and CO-H₂O mixed ice at temperatures below 10 and 20 K, respectively. Rate constants for pure CO decreased significantly at 12 K compared to those obtained with CO-H₂O mixed ice. Hydrogenation of CO at temperatures greater than 12 K were catalyzed by the H₂O adjacent to the CO. The importance of the experimental results for some relevant astrophysical environments has also been outlined.  相似文献   

基于自适应模糊神经网络预测金属——EDTA配合物稳定常数     

多杰扎西 《盐湖研究》2014,(3):45-49

采用自适应模糊神经网络的方法,以金属离子外层主量子数(n)、电荷(Z)、半径(r)、适配价轨道数因子(w)及价电子结构因子(S)等为参数,关联金属—EDTA配合物稳定常数。利用减法聚类算法确定模糊神经网络的结构,并结合模糊推理系统进行该网络参数的调整,网络仿真的结果是满意的。在此基础上,预测了13种金属—EDTA配合物稳定常数。  相似文献   

二氧化硅水溶物种与热力学性质   总被引：9，自引：0，他引：9  

张生 《世界地质》1997,16(2):16-22

系统综述了热液流体中溶解ＳｉＯ２存在形式的研究成果，指出溶解ＳｉＯ２在天然条件下主要呈真溶液迁移，其形式为Ｈ４ＳｉＯ４或Ｓｉ（ＯＨ）４·２Ｈ２Ｏ及其它水合数的单硅酸和多硅酸；在适宜的条件下，Ｈ３ＳｉＯ－４、ＮａＨ３ＳｉＯ０４、Ｓｉ（ＯＨ）４ＳＯ２－４、（Ｋ，Ｎａ）Ｓｉ（ＯＨ）０５或硅的有机配合物将成为主要的溶解物种。最后，给出了有关上述水溶物种的热力学平衡常数  相似文献   

The nonlinear elasticity and related properties of anhydrous and hydrous γ-Mg2SiO4: a theoretical study     

K. P. Jayachandran  Lin-gun Liu 《Physics and Chemistry of Minerals》2005,32(1):28-39

The second-order elastic constants up to 30 GPa, which encompass the stability field of the spinel forms, their pressure derivatives and the third-order elastic constants of both hydrous and anhydrous -Mg₂SiO₄ have been obtained theoretically. A combination of deformation theory and finite strain elasticity theory has been employed to arrive at the expressions for second-order and third-order elastic constants from the strain energy of the lattice. The strain energy is calculated by taking into account the interactions up to second nearest neighbours in the -Mg₂SiO₄ lattice. This is then compared with the strain-dependent lattice energy from continuum model approximation to obtain the expression of elastic constants. The second-order elastic constants C_ij compare favourably with the measurements in the case of anhydrous as well as hydrous -Mg₂SiO₄ and with other calculations on the anhydrous phase. All the third-order elastic constants of both the compounds are negative. The third-order elastic constant C₁₄₄(–52.41 and –45.07 GPa for anhydrous and hydrous -Mg₂SiO₄, respectively) representing the anisotropy of shear mode has a smaller value than C₁₁₁ (–2443.94 and –2101.25 GPa for anhydrous and hydrous phases, respectively), which corresponds to the longitudinal mode. The pressure-induced variations in the longitudinal elastic constants (i.e.,dC₁₁/dp) are relatively large (4.08 and 4.09 for dry and hydrous ringwoodite, respectively) compared with those for the shear (0.22 and 0.32 for dry and hydrous ringwoodite, respectively) and off-diagonal constants (1.40 and 1.41 for dry and hydrous ringwoodite, respectively). The variation of the shear moduli C_s and anisotropy factor A with pressure have also been studied. The average value of elastic anisotropy is 0.835 in the case of anhydrous -Mg₂SiO₄ and 0.830 in the hydrous phase. The reversal of sign of the Cauchy pressure C₁₂ – C₄₄, which describes the angular character of atomic bonding in metals and other compounds, at around 21 GPa for both the compounds may be a precursor to the phase transition from ringwoodite to periclase and perovskite at an elevated temperature. The aggregate elastic properties like the adiabatic bulk modulus K (175.4 and 150.2 GPa for anhydrous and hydrous phases, respectively), and the isotropic compressional (P) and shear (S) wave velocities were calculated and the mode Grüneisen Parameters (GPs) of the acoustic waves were determined based on the quasi-harmonic approximation. The low temperature limit of both hydrous and anhydrous phases of -Mg₂SiO₄ are positive (1.69 and 1.78, respectively, for hydrous and anhydrous phases) and hence we expect the thermal expansion to be positive down to absolute zero. The Anderson–Grüneisen parameter obtained for hydrous as well as anhydrous phases of -Mg₂SiO₄ from the second-order and third-order elastic constants are 2.30 and 2.29, respectively.  相似文献   

Similar Adsorption Parameters for Trace Metals with Different Aquatic Particles   总被引：1，自引：0，他引：1  

Beat Müller  Anja Duffek 《Aquatic Geochemistry》2001,7(2):107-126

Conditional surface binding constants and complexation capacities for Zn, Pb, Cd, and Cu were determined from surface titration experiments of heterogeneous natural aquatic particulate matter of different origin and composition. Metals and particles were evaluated in naturally occurring concentration ranges in river water.The adsorption of trace metals can be adequately described with a single conditional binding constant over a wide range of metal : particle ratios. Binding constants for aquatic particles at pH 8.0 are remarkably independent from particle composition and are specific for each metal: log K^ads _Zn = 8.39, log K^ads _Pb = 9.67, log K^ads _Cd = 8.61, log ^ads _Cu = 9.84. From competition experiments with Ca and Pb we extracted a sorption coefficient for Ca of log K^ads _Ca = 2.5 (pH 8.0). Maximum surface binding capacities for all metal ions were found for particles containing high fractions of Mn-oxides which are associated with large specific surface areas. Generally, we found sorption capacities to decrease in the sequence Cu Pb, Zn > Cd.The experiments suggest that the conditional surface binding constants and complexation capacities are applicable to model trace metal adsorption in the concentration ranges of natural waters under conditions similar to the experiments. Results also imply that the chemical nature of particle surface sites is rather uniform in the intermediate concentration range or that the array of binding sites averages out differences in sorption strength over the prevailing concentration range of metal ions, respectively.  相似文献   

SHORT COMMUNICATION A PROGRAM FOR THE SIMULTANEOUS POTENTIOMETRIC DETERMINATION OF PROTONATION CONSTANTS AND ELECTRODE CALIBRATION PARAMETERS     

J.J.BAEZA  G.RAMIS  C.MONGAY 《地理学报(英文版)》1988,(Z1)

A program for the potentiometric determination of the protonation constants of mononuclear polyproticsubstances is described.A maximum of twelve parameters can be determined simultaneously,includingup to six protonation constants,four electrode calibration parameters,the protolysis constant of thesolvent and the titrant concentration.Optimization is carried out by using the non-simplifiedNewton-Raphson method,which is potentiated by the Marquardt algorithm and a distance speeding-upcoefficient.A direct search method is also used to improve the initial set of values.Variances arecalculated very accurately,since the real Hessian function is used.Statistical weights and ionic strengthcorrections are also considered,The program has been tested by using simulated titration curves ofpolyprotic acids with close constants.  相似文献