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91.
采用传统的固相反应法,在1400–1500 ℃下烧结,制备得到Al2O3-Y2O3-ZrO2三相复合陶瓷.样品的结构、形貌和电性能分别用X射线衍射(XRD)、扫描电子显微镜(SEM)及介电谱表征.XRD表明此三相复合体系无其他杂相,加入Y2O3及ZrO2后使得Al2O3成瓷温度降低;SEM表明此体系晶粒直径为200–500 nm,并且样品随烧结温度的升高而变得更加致密,晶界更加清晰;介电损耗谱中出现峰值弛豫现象,根据Cole-Cole复阻抗谱得出其为非德拜弛豫.
关键词:
2O3-Y2O3-ZrO2三相陶瓷')" href="#">Al2O3-Y2O3-ZrO2三相陶瓷
介电弛豫
阻抗谱
热导率 相似文献
92.
采用基于第一性原理的线性缀加平面波(FP-LAPW)方法,研究Fe掺杂SnO2材料电子结构和光学性质,包括电子态密度、能带结构、介电函数和其他一些光学图谱. 研究结果表明,掺Fe后材料均属于直接跃迁半导体,且呈现半金属性;随掺杂浓度增加,费米能级进入价带,带隙逐渐减小,Fe原子之间耦合作用增强;通过掺杂能够在一定程度上改变成键性质,使其具有金属键性质. 光学谱线(吸收谱、消光系数等)与介电函数虚部谱线相对应,均发生蓝移,各峰值与电子跃迁吸收有关,从理论上指出光学性质和电子结构的内在联系.
关键词:
能带结构
态密度
光学性质
介电函数 相似文献
93.
通过将单回路镜像对称开口金属环结构印制在高介电常数基板上,实现了一种金属含量比传统负折射材料更少,"双负"通带比全介质负折射材料更宽的负折射材料.分析了高介电常数基板产生负介电常数以及"双负"通带形成的机理,通过仿真实验分析了影响"双负"通带的因素.通过制作样品验证了这一机理实现"双负"的可行性,理论分析与实验结果都表明这种方法可实现较宽频段内的"双负"通带.
关键词:
负折射材料
负介电常数
负磁导率
介质谐振器原理 相似文献
94.
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97.
Silicon oxide (SiO2) and silicon oxynitride (SiOxNy) are two key dielectrics used in silicon devices. The excellent interface properties of these dielectrics with silicon have enabled the tremendous advancement of metal-oxide-semiconductor (MOS) technology. However, these dielectrics are still found to have pronounced amount of localized states which act as electron or hole traps and lead to the performance and reliability degradations of the MOS integrated circuits. A better understanding of the nature of these states will help to understand the constraints and lifetime performance of the MOS devices. Recently, due to the available of ab initio quantum-mechanical calculations and some synchrotron radiation experiments, substantial progress has been achieved in understanding the atomic and electronic nature of the defects in these dielectrics. In this review, the properties, formation and removal mechanisms of various defects in silicon oxide and silicon oxynitride films will be critically discussed. Some remarks on the thermal ionization energies in connection with the optical ionization energies of electron and hole traps, as well as some of the unsolved issues in these materials will be highlighted. 相似文献
98.
A polarizable empirical force field for molecular dynamics simulation of liquid hydrocarbons 下载免费PDF全文
Oliwia M. Szklarczyk Stephan J. Bachmann Wilfred F. van Gunsteren 《Journal of computational chemistry》2014,35(10):789-801
Electronic polarizability is usually treated implicitly in molecular simulations, which may lead to imprecise or even erroneous molecular behavior in spatially electronically inhomogeneous regions of systems such as proteins, membranes, interfaces between compounds, or mixtures of solvents. The majority of available molecular force fields and molecular dynamics simulation software packages does not account explicitly for electronic polarization. Even the simplest charge‐on‐spring (COS) models have only been developed for few types of molecules. In this work, we report a polarizable COS model for cyclohexane, as this molecule is a widely used solvent, and for linear alkanes, which are also used as solvents, and are the precursors of lipids, amino acid side chains, carbohydrates, or nucleic acid backbones. The model is an extension of a nonpolarizable united‐atom model for alkanes that had been calibrated against experimental values of the density, the heat of vaporization and the Gibbs free energy of hydration for each alkane. The latter quantity was used to calibrate the parameters governing the interaction of the polarizable alkanes with water. Subsequently, the model was tested for other structural, thermodynamic, dielectric, and dynamic properties such as trans/gauche ratios, excess free energy, static dielectric permittivity, and self‐diffusion. A good agreement with the experimental data for a large set of properties for each considered system was obtained, resulting in a transferable set of polarizable force‐field parameters for CH2, CH3, and CH4 moieties. © 2014 Wiley Periodicals, Inc. 相似文献
99.
The CaCu3Ti4O12 (CCTO) thin films were synthesized via a metal‐organic solution containing stoichiometric amounts of the metal cations at 700 °C for 1 h. The stable metal‐organic solution was prepared by dissolving calcium nitrate, copper nitrate, and tetrabuty titanate in grain alcohol. The phases, microstructures, and electric properties of CCTO thin films were characterized by X‐ray diffraction, scanning electron microscopy, atomic force microscope, and electric measurements. The results show that the CCTO thin films have homogeneous microstructure, smooth surface, low leakage current, and high values of dielectric constant. The low leakage current can be attributed to the small surface roughness. The high value of dielectric constant can be attributed to the internal barrier layer capacitor mechanism and metal‐insulator‐semiconductor junction of CCTO thin films. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
100.
TiO2 decorated with partially crystallized Pd nanoparticles (Pd/TiO2-P) was successfully prepared by atmospheric-pressure dielectric barrier discharge cold plasma. The XRD and XPS analyses proved that Pd ions were reduced to partially crystallized metallic Pd nanoparticles in Pd/TiO2-P. The XPS spectra also indicated that an enhanced metal-support interaction was formed due to the existence of partially crystallized Pd nanoparticles with lower coordination number in Pd/TiO2-P. Photocatalytic activity of Pd/TiO2-P was much higher than that of TiO2 samples decorated with well crystallized Pd nanoparticles. 相似文献