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81.
《中国物理 B》2021,30(6):66301-066301
Dynamics of hydrogen doped Cu_(50) Zr_(50) glass-forming liquids are investigated by using the newly developed modified embedded atomic method(MEAM) potential based on molecular dynamics simulations. We find that the doping of hydrogen atoms slows down the relaxation dynamics, reduces the fragility of supercooled melts, and promotes the occurrence of glass transitions. The dynamic slowdown is suggested to be closely related to the effect of hydrogen atoms on locally ordered structure of melts. With increasing concentration of hydrogen, the five-fold symmetry associated with Cu-and Zr-centered polyhedrons is lowered, on the other hand, the local order featuring metal hydrides is enhanced. The latter dominates the dynamic behaviors of glass-forming liquids, especially for Zr atoms, and results in the dynamic slowdown. 相似文献
82.
The effect of laser irradiation on the optical properties of thermally evaporated Se100?x Te x (x=8, 12, 16) chalcogenide thin films has been studied. The result shows that the irradiation causes a shift in the optical gap. The results have been analyzed on the basis of laser irradiation-induced defects in the film. The width of the tail of localized state in the band gap has been evaluated using the Urbach edge method. As the irradiation time increases, the values of the optical energy gap for all compositions decrease, while tail energy width increases. It is also observed that the optical energy gap decreases with increasing Te content in the alloy. These changes are a consequence of an increment in disorder produced by laser irradiation in the amorphous structure of thin film. 相似文献
83.
Atomistic Origin of the Enhanced Crystallization Speed and n‐Type Conductivity in Bi‐doped Ge‐Sb‐Te Phase‐Change Materials
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Jonathan M. Skelton Anuradha R. Pallipurath Tae‐Hoon Lee Stephen R. Elliott 《Advanced functional materials》2014,24(46):7291-7300
Phase‐change alloys are the functional materials at the heart of an emerging digital‐storage technology. The GeTe‐Sb2Te3 pseudo‐binary systems, in particular the composition Ge2Sb2Te5 (GST), are one of a handful of materials which meet the unique requirements of a stable amorphous phase, rapid amorphous‐to‐crystalline phase transition, and significant contrasts in optical and electrical properties between material states. The properties of GST can be optimized by doping with p‐block elements, of which Bi has interesting effects on the crystallization kinetics and electrical properties. A comprehensive simulational study of Bi‐doped GST is carried out, looking at trends in behavior and properties as a function of dopant concentration. The results reveal how Bi integrates into the host matrix, and provide insight into its enhancement of the crystallization speed. A straightforward explanation is proposed for the reversal of the charge‐carrier sign beyond a critical doping threshold. The effect of Bi on the optical properties of GST is also investigated. The microscopic insight from this study may assist in the future selection of dopants to optimize the phase‐change properties of GST, and also of other PCMs, and the general methods employed in this work should be applicable to the study of related materials, for example, doped chalcogenide glasses. 相似文献
84.
Phosphate glasses with compositions of 44P2O5 + 17K2O + 9Al2O3 + (30 − x)CaF2 + xDy2O3 (x = 0.05, 0.1, 0.5, 1.0, 2.0, 3.0 and 4.0 mol %) were prepared and characterized by X-ray diffraction (XRD), differential thermal analysis (DTA), Fourier transform infrared (FTIR), optical absorption, emission and decay measurements. The observed absorption bands were analyzed by using the free-ion Hamiltonian (HFI) model. The Judd–Ofelt (JO) analysis has been performed and the intensity parameters (Ωλ, λ = 2, 4, 6) were evaluated in order to predict the radiative properties of the excited states. From the emission spectra, the effective band widths (Δλeff), stimulated emission cross-sections (σ(λp)), yellow to blue (Y/B) intensity ratios and chromaticity color coordinates (x, y) have been determined. The fluorescence decays from the 4F9/2 level of Dy3+ ions were measured by monitoring the intense 4F9/2 → 6H15/2 transition (486 nm). The experimental lifetimes (τexp) are found to decrease with the increase of Dy3+ ions concentration due to the quenching process. The decay curves are perfectly single exponential at lower concentrations and gradually changes to non-exponential for higher concentrations. The non-exponential decay curves are well fitted to the Inokuti–Hirayama (IH) model for S = 6, which indicates that the energy transfer between the donor and acceptor is of dipole–dipole type. The systematic analysis of revealed that the energy transfer mechanism strongly depends on Dy3+ ions concentration and the host glass composition. 相似文献
85.
J. P. Bedel J. C. Rouillon J. P. Marcerou M. Laguerre H. T. Nguyen M. F. Achard 《Liquid crystals》2013,40(11):1411-1421
A new homologous series of achiral banana-shaped mesogens ('Dn') has been synthesized and studied by the classical techniques (optical microscopy, differential scanning calorimetry, X-ray diffraction, miscibility studies and electro-optic investigations). The short homologues (D6-D8) exhibit a two-dimensional phase 'B1x' different from a B1 phase with a rectangular lattice. The longer homologues (D9-D14) present a mesophase which displays the defects of the B7 phase of the PIMB-NO2 compounds. Nevertheless the D9-D14 mesophase is not miscible with the B7 phase, and contrary to B7, exhibits a bistable behaviour ('ferroelectric' type) suggesting at least a B7 variant. 相似文献
86.
The present investigation reports the effect of influence of aluminum ions on radiation damage of strontium borosilicate glasses studied by means of spectroscopic (viz., optical absorption (OA), infrared and Raman spectra). The composition of the glasses chosen for the study is 40SrO–xAl2O3–(15-x) B2O3–40SiO2 (x = 5, 7.5, 10), all in mol%. The glasses were synthesized by conventional melt quenching method. Later, the samples were exposed to gamma (γ) radiation dose of strengths 10 kGy and 30 kGy with a dose rate of 1.5 Gy/s using 60Co as radiation source. The infrared spectra (IR), Raman spectra and optical absorption (OA) spectra of the samples were recorded at ambient temperature before and after irradiation. The OA spectra of the pre-irradiated samples do not exhibit any absorption bands in the UV–vis regions and IR and Raman spectra exhibited conventional vibrational bands due to different borate, silicate AlO4 and AlO6 structural units. The OA spectra of post irradiated samples exhibited a broad absorption band in the wavelength region 600–750 nm; it is attributed to electron trapped color centers. The intensity of this peak is observed to increase with increase of the γ-ray dose. Considerable changes in the intensities of various bands in the IR and Raman spectra were also observed. The changes were explained based on structural modifications taking place in the glass network due to γ-ray irradiation and finally it is concluded that the glasses mixed with 10.0 mol% of Al2O3 are relatively more radiation resistant. 相似文献
87.
Danilo Di Genova Daniele Morgavi Kai‐Uwe Hess Daniel R. Neuville Nikita Borovkov Diego Perugini Donald B. Dingwell 《Journal of Raman spectroscopy : JRS》2015,46(12):1235-1244
The effect of chemical composition on the Raman spectra of a series of natural calcalkaline silicate glasses has been quantified by performing electron microprobe analyses and obtaining Raman spectra on glassy filaments (~450 µm) derived from a magma mingling experiment. The results provide a robust compositionally‐dependent database for the Raman spectra of natural silicate glasses along the calcalkaline series. An empirical model based on both the acquired Raman spectra and an ideal mixing equation between calcalkaline basaltic and rhyolitic end‐members is constructed enabling the estimation of the chemical composition and degree of polymerization of silicate glasses using Raman spectra. The model is relatively insensitive to acquisition conditions and has been validated using the MPI‐DING geochemical standard glasses 1 as well as further samples. The methods and model developed here offer several advantages compared with other analytical and spectroscopic methods such as infrared spectroscopy, X‐ray fluorescence spectroscopy, electron and ion microprobe analyses, inasmuch as Raman spectroscopy can be performed with a high spatial resolution (1 µm2) without the need for any sample preparation as a nondestructive technique. This study represents an advance in efforts to provide the first database of Raman spectra for natural silicate glasses and yields a new approach for the treatment of Raman spectra, which allows us to extract approximate information about the chemical composition of natural silicate glasses using Raman spectroscopy. We anticipate its application in handheld in situ terrestrial field studies of silicate glasses under extreme conditions (e.g. extraterrestrial and submarine environments). © 2015 The Authors Journal of Raman Spectroscopy Published by John Wiley & Sons Ltd 相似文献
88.
电化学合成氨近年来受到较多关注, 直接的电化学固氮法(NRR)存在产氨来源不明的问题, 而间接的锂式合成氨(LiNR)被认为是一种可行的固氮方案. LiNR的研究多为电沉积锂, 本工作以Li-N2电池体系为基础, 利用电池的放电反应固定N2, 质子源H2O同时参与反应, 理论上提高了Li-N2电池的放电电压. 结合充电反应锂盐分解, 构成了清晰的锂循环方案. 研究发现, 当N2和H2O共同通入电池, 可以实现连续式的NH3生产, 且放电电位与理论值接近. 充放电循环显示, 每个循环均可以产生NH3, 产氨量随循环次数而增加. 该方案可循环利用锂, 对于开发新型的固氮方式有较大的研究与利用价值. 相似文献
89.
Dr. Weihui Ou Junda Shen Dr. Fucong Lyu Xufen Xiao Dr. Binbin Zhou Prof. Jian Lu Dr. Yang Yang Li 《化学:亚洲杂志》2021,16(16):2249-2252
Morphologically and dimensionally controlled growth of Ag nanocrystals has long been plagued by surfactants or capping agents that complicate downstream applications, unstable Ag salts that impaired the reproducibility, and multistep seed injection that is troublesome and time-consuming. Here, we report a one-pot electro-chemical method to fast (∼2 min) produce Ag nanoparticles from commercial bulk Ag materials in a nitric acid solution, eliminating any need for surfactants or capping agents. Their size can be easily manipulated in an unprecedentedly wide range from 35 to 660 nm. Furthermore, the Ag nanoparticles are directly grown on the Ag substrate, highly desirable for promising applications such as catalysis and plasmonics. The mechanistic studies reveal that the concentration of Ag+ in the diffusion layer nearby the surface, controlled by the magnitude and duration of voltage, is critical in governing the nanoparticle formation (<1.3 mM) and its dimensional adjustability. 相似文献
90.
MgO doped lithium alumino phosphate glasses (PLA: P2O5+Li2O+Al2O3+MgO) were prepared by melt quenching technique. Raman spectra display three significant peaks at 698, 1164 and 1383 cm−1 attributed to: symmetric stretching vibrations of the bridging oxygen (BO) in the P–O–P chains, symmetric stretching vibrations of the PO2 groups, and the asymmetric vibrations vas(PO2) of the non-bridging oxygen (NBO) atoms, respectively. Also, the density, molar volumes and ion concentration have been discussed and correlated with the structural changes within the glassy matrix. Some optical constants such as refractive index and dispersion parameters (Eo: single-oscillator energy and Ed: dispersive energy) of the glasses were determined. Finally, the values of the optical band gap for direct and indirect allowed transitions have been determined from the absorption edge studies. It is deduced that the values of Eopt increase with increasing MgO content. It was assigned to structural changes induced from the formation of non-bridging oxygen. The Urbach energy (ΔE) was found to decrease from 0.578 to 0.339 eV with increasing MgO content from 0.5 to 2 mol. 相似文献