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111.
112.
New hybrid nanomaterials, with improved photocatalytic performance in pollutants removal, were obtained through the modification of titanate nanotubes (TNT) with a cobalt porphyrin, the cyanocobalamin, also knowing as vitamin B12 (B12). The nanocrystalline TNT were produced by hydrothermal treatment and after treated with cobalamin to produce B12-TNT materials. The characterization of the new hybrid material was performed by XRD, FTIR, TEM-EDS, DRS, XPS and ICP. The results show that the immobilization of the cobalt containing specie is dependent on the point of zero charge of the TNT and no modifications on the structure and morphology were observed. No significant changes in the optical band gap were observed after B12 incorporation, but an increasing in the visible light absorption, which arises from charge transfer and d–d transitions of the cobalt, was visualized. The samples photocatalytic performance was studied for the hydroxyl radical production and the highest catalytic ability was achieved by the B12-HTNT sample. The catalytic ability of these new hybrid nanomaterials for two model pollutants photodegradation, phenol and rhodamine B (RhB) was investigated. For both pollutants, the best results were achieved using B12-HTNT with a removal of 94% of a 10 ppm RhB and 87% of a 20 ppm phenol solution in 90 min of irradiation (150 mL, 0.2 g catalyst/L). 相似文献
113.
Abstract Color centers in rutile-structured MgF2 single crystals irradiated at 20K/360K by reactor neutrons are investigated spectroscopically at LNT. Four different types of the F-F vacancy bond in MgF2 are possibly identified to the observed absorption bands as due to the F2 centers; instead of previous assignments, the 300nm band to the F2(D2h), the 325nm band to the F2(C1), the 355nm band to the F2(C2v), and the 400nm band to the F2(C2h) centers. 相似文献
114.
115.
A novel one-step synthesis process was used to prepare CdTe:Cu2+/TiO2 nanotube arrays (TNTAs). X-ray powder diffraction and high-resolution transmission electron microscopy analyses confirmed that the obtained CdTe:Cu2+ quantum dots (QDs) possess cubic structures, which are approximately spherical, and a small particle size (2.95 nm). The photoluminescent and UV–visible absorption spectra of CdTe:Cu2+ QDs also display an obvious redshift, which was attributed to the replacement of Cd2+ with Cu2+. Compared with that of the TNTAs and CdTe/TNTAs, the photoelectric conversion efficiency of CdTe:5% Cu2+/TNTAs increased by 785.7% and 103.3%, respectively. The incident photo-to-current conversion efficiency of CdTe:5% Cu2+/TNTAs was 50.6%, which indicated the potential use of QDs in photochemical solar cells. 相似文献
116.
Partial substitution of cations and anions in perovskite-type materials is a powerful way to tune the desired properties. The systematic variation of the cations size, the partial exchange of O2− for N3− and their effect on the size of the optical band gap and the thermal stability was investigated here. The anionic substitution resulted in the formation of the orthorhombic perovskite-type oxynitrides Mg0.25Ca0.65Y0.1Ti(O,N)3, Ca1-xYxZr(O,N)3, and Sr1–xLaxZr(O,N)3. A two-step synthesis protocol was applied: i) (nano-crystalline) oxide precursors were synthesized by a Pechini method followed by ii) ammonolysis in flowing NH3 at T = 773 K (Ti) and T = 1273 K (Zr), respectively. High-temperature synthesis of such oxide precursors by solid–state reaction generally resulted in phase separation of the different A-site cations. Changes of the crystal structures were investigated by Rietveld refinements of the powder XRD data, thermal stability by DSC/TG measurements in oxygen atmosphere, oxygen and nitrogen contents by O/N analysis using hot gas extraction technique, and optical band gaps by photoluminescence spectroscopy. By moving from Mg0.25Ca0.65Y0.1Ti(O,N)3 via Ca1–xYxZr(O,N)3 to Sr1–xLaxZr(O,N)3, the degree of tilting of the octahedral network is reduced, as observed by an increase in the B–X–B angles caused by the simultaneously increasing effective ionic radius of the A-site cation(s). In general, increasing substitution levels on the A-site (Y3+ and La3+) are accompanied by an enhanced replacement of O2− by N3−. In all three systems, this anionic substitution resulted in a reduction of the optical band gap by approximately 1 eV (Ti) and up to 2.1 eV (Zr) compared to the respective oxides. For Mg0.25Ca0.65Y0.1Ti(O,N)3 an optical band gap of 2.2 eV was observed, appropriate for a solar water splitting photocatalyst. The Zr-based oxynitrides required a by a factor of 2 higher nitrogen contents to significantly reduce the optical band gap and the measured values of 2.9 eV–3.2 eV are larger compared to the Ti-based oxynitride. Bulk thermal stability was revealed up to T = 881 K. In general, the thermal stability decreased with increasing substitution levels due to an increasing deviation from the ideal anionic composition as demonstrated by O/N analysis. 相似文献
117.
Titanium dioxide thin films have been deposited by metalorganic chemical vapor deposition (MOCVD) over sodalime glass substrates at substrate temperatures ranging from 250 °C to 450 °C. The effect of deposition temperature on the structure and microstructure of the obtained films has been studied by x-rays diffraction (XRD) and scanning electron microscopy (SEM), respectively. Diffraction patterns show the existence of a pure anatase phase beside a texture change with the increase of deposition temperature. Micrographs show grain fragmentation with the increase in deposition temperature. UV–Vis. spectra have been recorded by spectrophotometery. The optical energy gap has been calculated for the deposited films from the spectrophotometrical data. Photocatalytic experiments have been carried out. The photocatalytic activity has been found to decrease with the increase in deposition temperature. 相似文献
118.
Structural and optical properties of 1 at % Al-doped Zn1−xMgxO (x=0–8%) powders prepared by sol–gel method were systematically investigated by means of X-ray diffraction, scanning electron microscopy, ultraviolet–visible absorbance measurement, photoluminescence and Raman scattering spectra. All the powders retained the hexagonal wurtzite structure of ZnO. The band gap and near band emission energies determined from absorbance and photoluminescence spectra increased linearly with increasing Mg content, respectively, which implied that the Mg worked effectively on ZnO band gap engineering, irrespective of Al codoping. However, according to the PL and Raman scattering studies, for the sample of x=8%, the Al doping efficiency was decreased by higher Mg codoping. On the other hand, the effect of Mg codoping on photocatalytic degradation of methylene orange was explored experimentally. The substitution of Mg ions at Zn sites shifted the conduction band toward higher energies and then enhanced the photocatalytic activity, while the incorporation of interstitial Mg ions and decreased Al doping efficiency for higher Mg doping sample (x=8%) reduced the photocatalytic activity. 相似文献
119.
Accurate determination of both fundamental and optical gap is necessary for designing molecules relevant for organic photovoltaics. Here, we study how range-separated density functionals reproduce frontier orbital energies, HOMO (highest occupied molecular orbital)–LUMO (lowest unoccupied molecular orbital) gaps, and optical gaps for molecules relevant for organic photovoltaics. In this study, we consider 12 different range-separated density functional for computing HOMO energy, HOMO–LUMO gap, and optical gap which are compared with available experimental and reported GW values. We found that the reproduction of desired photovoltaic properties primarily depend on range separation parameter. Moreover, the tested functionals are comparable with OT-BNL functional. 相似文献
120.
The thermal behavior of zinc carbodiimide Zn(NCN) was examined in the temperature range between 200 and 1100 °C in Ar atmosphere. The material starts to partially decompose at about 800 °C. Heat treatment at temperatures beyond 800 °C results in the formation of the byproducts nitrogen-containing bamboo-like multiwall carbon-nanotubes of 20–50 nm in diameter due to a partial decomposition of Zn(NCN) into dicyan (CN)2, zinc and nitrogen gas followed by the polymerization of the former product to paracyanogen (CN)n. At 1100 °C, the yield of the residual carbodiimide depends on the dwelling time and the initial amount of powder used for pyrolysis. One hour dwelling at 1100 °C yields ∼50% of the Zn(NCN) separated as pure material. Temperature-induced change in the band structure, namely indirect-to-direct band gap transition, is registered when compared the Zn(NCN) at room temperature with the residual material annealed at 1100 °C. The transition from indirect (Eg = 4.32 eV) to direct band gap (Eg = 4.93 eV) is due to the thermal annealing process which results in healing of crystal defects. 相似文献