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ABSTRACTThe stable configurations, electronic structures and catalytic activities of single-atom metal catalyst anchored silicon-doped graphene sheets (3Si-graphene-M, M?=?Ni and Pd) are investigated by using density functional theory calculations. Firstly, the adsorption stability and electronic property of different gas reactants (O2, CO, 2CO, CO/O2) on 3Si-graphene-M substrates are comparably analysed. It is found that the coadsorption of O2/CO or 2CO molecules is more stable than that of the isolated O2 or CO molecule. Meanwhile, the adsorbed species on 3Si-graphene-Ni sheet are more stable than those on the 3Si-graphene-Pd sheet. Secondly, the possible CO oxidation reactions on the 3Si-graphene-M are investigated through Eley–Rideal (ER), Langmuir–Hinshelwood (LH) and new termolecular Eley–Rideal (TER) mechanisms. Compared with the LH and TER mechanisms, the interaction between 2CO and O2 molecules (O2?+?CO → CO3, CO3?+?CO → 2CO2) through ER reactions (< 0.2?eV) are an energetically more favourable. These results provide important reference for understanding the catalytic mechanism for CO oxidation on graphene-based catalyst. 相似文献
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Growth of Semi-Insulating GaN Using N2 as Nucleation Layer Carrier Gas Combining with an Optimized Annealing Time 下载免费PDF全文
Semi-insulating (SI) GaN is grown using N2 as the nucleation layer (NL) carrier gas combined with an optimized annealing time by metalorganic chemical vapour deposition. Influence of using 1-12 and N2 as the NL carrier gas is investigated in our experiment. It is found that the sheet resistance of unintentionally doped GaN can be increased from 10^4 Ω/sq to 10^10 Ω/sq by changing the NL carrier gas from 1-12 to N2 while keeping the other growth parameters to be constant, however crystal quality and roughness of the tilm are degraded unambiguously. This situation can be improved by optimizing the NL annealing time. The high resistance of GaN grown on NL using N2 as the carrier gas is due to higher density of threading dislocations caused by the higher density of nucleation islands and small statistic diameter grain compared to the one using 1-12 as carrier gas. Annealing the NL for an optimized annealing time can decrease the density of threading dislocation and improve the tilm roughness and interface of AlGaN/GaN without degrading the sheet resistance of as-grown GaN signiticantly. High-quality SI GaN is grown after optimizing the annealing time, and AlGaN/GaN high electron mobility transistors are also prepared. 相似文献
44.
B. Deconihout A. Vella F. Vurpillot G. Da Costa A. Bostel 《Applied Physics A: Materials Science & Processing》2008,93(4):995-1003
The 3DAP allows to image a material in 3D on a nearly atomic scale. It is based on the field evaporation occurring at the
surface of a biased tip like shape specimen with an end radius of 50 nm. Surface atoms are removed one by one from the tip
by means of fs laser pulses so that the physical process involved in this laser enhanced field evaporation might correspond
to the very early stages of the ablation process. This technique makes possible to distinguish between different regimes of
material removal such as thermal evaporation or in the case of metals or semiconductors an evaporation assisted by the rectification
of the optical field at the surface. In this paper the principle of the 3DAP is presented and the underlying physics involved
in the field evaporation assisted by femtosecond laser pulses is discussed. 相似文献
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P.M.A. Farias B.S. Santos A.A.S. Vieira A.G. Castro-Neto A.H.G.B. Da Cunha J.C.O.F. Amaral 《Applied Surface Science》2008,255(3):691-693
We present and discuss the application of colloidal semiconductor quantum dots for diagnostic purposes, with special emphasis for cancer. We prepared and applied core-shell cadmium sulfide-cadmium hydroxide (CdS/Cd(OH)2) semiconductor quantum dots in aqueous medium. Tissue and cells labeling was evaluated by laser scanning confocal microscopy as well as by conventional fluorescence microscopy. The procedure presented in this work, shown to be a promising tool for fast, low-cost and precise cancer diagnostic protocols. 相似文献
46.
A. Paesano Jr. S. C. Zanatta S. N. De Medeiros L. F. CÓtica J. B. M. Da Cunha 《Hyperfine Interactions》2005,161(1-4):211-220
We have investigated the mechanosynthesis of gadolinium and yttrium iron garnets by high-energy ball-milling of α-Fe2O3 and Gd2O3 or α-Fe2O3 and Y2O3, respectively, followed by short thermal annealings conducted at moderate temperatures. The samples were characterized by X-ray diffraction and Mössbauer spectroscopy, in order to determine the influence of the milling time and annealing conditions on the final products. For as-milled samples of each rare-earth system, the results revealed the formation of perovskite phases, in relative amounts that depend on the milling time. The formation of garnet phases was observed in as-annealed samples treated at 1000°C for 2 h or 1100°C for 3 h, i.e., at very modest annealing requirements when compared with ordinary solid-state-reaction processes performed without previous high-energy milling. Also, the occurrence was verified of a milling time for which the relative amount of garnet phases formed by annealing was maximized. This time depends on the rare-earth composing the garnet phase and on the annealing temperature. 相似文献
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用电沉积方法得到了不同浓度硫酸锌电解液的分形凝聚图像;进行图像处理,得到了其分形维数与浓度的关系曲线;用粒子扩散限制凝聚模型解释了此关系 相似文献