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1.
《International Journal of Hydrogen Energy》2022,47(2):1217-1228
In this article, pre-assembly hot-press pressure and thermal expansion effects in gas-diffusion layers (GDLs) are addressed to explore the practicalities of the constitutive model reported in the companion article. A facile technique is proposed to include deformation history dependent residual strain effects. The model is implemented in the numerical environment and compared with widely followed conventional models such as isotropic and orthotropic material models. With the normal and accelerated thermal expansion effects no significant variation in stresses or strains is reported with the compressible GDL model in contrast to the conventional incompressible form of the GDL model. The present work identifies the critical differences with advanced and extended variants of the model along with conventional GDL material models in terms of planar stress/strain distribution and the membrane response. Finally, the model is simulated for micro-cyclic stress loads of varying amplitudes that imitate the real working conditions of fuel cell. The inelastic energy dissipation in GDLs is predicted using the proposed model, which is utilized further to distinguish the safe (elastic) and unsafe (inelastic shakedown) operating limits. The inelastic collapse of GDLs is shown to be a active function of high amplitude micro-cyclic load with high initial clamping load. 相似文献
2.
《International Journal of Hydrogen Energy》2022,47(99):41783-41794
To satisfy arising energy needs and to handle the forthcoming worldwide climate transformation, the major research attention has been drawn to environmentally friendly, renewable and abundant energy resources. Hydrogen plays an ideal and significant role is such resources, due to its non-carbon based energy and production through clean energy. In this work, we have explored catalytic activity of a newly predicted haeckelite boron nitride quantum dot (haeck-BNQD), constructed from the infinite BN sheet, for its utilization in hydrogen production. Density functional theory calculations are employed to investigate geometry optimization, electronic and adsorption mechanism of haeck-BNQD using Gaussian16 package, employing the hybrid B3LYP and wB97XD functionals, along with 6–31G(d,p) basis set. A number of physical quantities such as HOMO/LUMO energies, density of states, hydrogen atom adsorption energies, Mulliken populations, Gibbs free energy, work functions, overpotentials, etc., have been computed and analysed in the context of the catalytic performance of haeck-BNQD for the hydrogen-evolution reaction (HER). Based on our calculations, we predict that the best catalytic performance will be obtained for H adsorption on top of the squares or the octagons of haeck-BNQD. We hope that our prediction of most active catalytic sites on haeck-BNQD for HER will be put to test in future experiments. 相似文献
3.
《International Journal of Hydrogen Energy》2022,47(78):33282-33307
‘Renewable energy is an essential part of our strategy of decarbonization, decentralization, as well as digitalization of energy.’ – Isabelle Kocher.Current climate, health and economic condition of our globe demands the use of renewable energy and the development of novel materials for the efficient generation, storage and transportation of renewable energy. Hydrogen has been recognised as one of the most prominent carriers and green energy source with challenging storage, enabling decarbonization. Photocatalytic H2 (green hydrogen) production processes are targeting the intensification of separated solar energy harvesting, storage and electrolysis, conventionally yielding O2/H2. While catalysis is being investigated extensively, little is done on bridging the gap, related to reactor unit design, optimisation and scaling, be it that of material or of operation. Herein, metals, oxides, perovskites, nitrides, carbides, sulphides, phosphides, 2D structures and heterojunctions are compared in terms of parameters, allowing for efficiency, thermodynamics or kinetics structure–activity relationships, such as the solar-to-hydrogen (STH). Moreover, prominent pilot systems are presented summarily. 相似文献
4.
《International Journal of Hydrogen Energy》2022,47(93):39639-39653
Metals that are exposed to high pressure hydrogen gas may undergo detrimental failure by embrittlement. Understanding the mechanisms and driving forces of hydrogen absorption on the surface of metals is crucial for avoiding hydrogen embrittlement. In this study, the effect of stress-enhanced gaseous hydrogen uptake in bulk metals is investigated in detail. For that purpose, a generalized form of Sievert's law is derived from thermodynamic potentials considering the effect of microstructural trapping sites and multiaxial stresses. This new equation is parametrized and verified using experimental data for carbon steels, which were charged under gaseous hydrogen atmosphere at pressures up to 1000 bar. The role of microstructural trapping sites on the parameter identification is critically discussed. Finally, the parametrized equation is applied to calculate the stress-enhanced hydrogen solubility of thin-walled pipelines and thick-walled pressure vessels during service. 相似文献
5.
《International Journal of Hydrogen Energy》2022,47(9):6217-6226
The development of electrocatalysts with high activity and durability for oxygen reduction reaction (ORR) in acidic electrolyte environments remains a serious challenge for clean and efficient energy conversion. Synergistic effects between Pt and inexpensive metals, the d band center of Pt and catalyst morphology could adjust the adsorption and desorption of oxygen intermediates by the Pt. All the factors affect the catalytic performance of Pt-based nanocrystals. Here, we prepared Cu@PtCu3 NWs with an average diameter of 74.9 nm for Cu and about 10 nm PtCu3 layer. After etching, the Cu@PtCu3 nanowires is transformed into PtCu nanotube structure, due to the removal of copper from the surface and interior. PtCu NTs for ORR shows excellent activities and durability due to the integration of structural advantages and synergistic effects. Notably, the mass activity and specific activity of PtCu NTs (0.105 A mg?1Pt and 0.230 mA cm?2Pt) are 2.0 and 3.8 times higher than that of commercial Pt/C (0.053 A mg?1Pt and 0.06 mA cm?2Pt). The etching process to change the morphology of the catalyst and alter the electronic structure of the catalyst is expected to be useful for the design of future structured Pt-based alloy nanocatalysts. 相似文献
6.
《International Journal of Hydrogen Energy》2022,47(5):2926-2935
Development of highly efficient and cheap electrocatalysts towards the hydrogen evolution reaction (HER) is of great importance for electrochemical water splitting. Herein, hybrid Cu/NiMo-P nanowires on the copper foam were successfully fabricated via a simple two-step method. The hierarchically structured Cu/NiMo-P exhibits large surface areas and rapid electron transfer ability, leading to enhanced catalytic activity. The as-prepared Cu/NiMo-P electrodes need overpotentials of 34 mV and 130 mV to obtain 10 mA cm?2 for HER in acidic and alkaline solutions, respectively. Density functional theory (DFT) calculations reveal that the Cu/NiMo-P hybrid has a more thermo-neutral hydrogen adsorption free energy and enhanced charge transfer ability as well. 相似文献
7.
Pengfei Chen Honggang Chang Tao Peng Yongfan Tang Youquan Liu Chao Xiang 《应用聚合物科学杂志》2021,138(30):50314
Hydraulic fracturing with slickwater is a field-proven stimulation technology used in tight reservoirs. Because of the high pumping rate associated with slickwater fracturing, drag reduction (DR) is critical in minimizing pressure drop and the success of oilfield operations. In this paper, a new type of drag reducer (SPR) was synthesized with acrylamide and 12-allyloxydodecyl acid sodium, and its drag reduction performance was evaluated. The results showed that the new drag reducer features low molecular weight, fast-dissolving rate and low interfacial tension. The algorithm of estimating the drag reduction rate of non-Newtonian fluid SPR was proposed and validated. Empirical or semianalytical models for estimating the friction ratio (σ) or friction factor (λ or f) were used to simulate the turbulence behavior of the SPR drag reducer under different Reynolds numbers (Re). The modified Virk's correlation could accurately model the turbulent behavior of the SPR drag reducer. A unified calculation formula was established in this study for different pipe diameters. 相似文献
8.
《International Journal of Hydrogen Energy》2022,47(22):11472-11491
Eco-friendly quantum dots (QDs) can be termed green QDs which stand as an attractive choice to modify the properties of known semiconductors in the direction of getting efficient photoelectrodes for solar-induced photoelectrochemical (PEC) splitting of water, due to their peculiar properties. Thus, it is of high significance to analyze their merit/demerit as an effective scaffold in PEC cell. QDs are known for their excellent optical properties however, the coupling of green QDs with semiconductor is not only useful in improving absorption characteristics but also promotes charge transfer. This review has undertaken the critical analysis on the worldwide research going on the green QDs modified photoelectrode with respect to their optical, electrical & photoelectrochemical properties, role, usefulness, efficiency, and finally the success in PEC system for hydrogen production. Various methods on the facile synthesis & sensitization techniques of green QDs available in the literature have also been discussed. Further, recent advances on the development of green QDs based photo-electrode, along with major challenges of using green QDs in this field have also been presented. 相似文献
9.
Prof. Andrea Baier Dr. Anne Kokel Dr. William Horton Ewa Gizińska Dr. Garima Pandey Prof. Ryszard Szyszka Prof. Béla Török Prof. Marianna Török 《ChemMedChem》2021,16(12):1927-1932
A set of novel hydrazone derivatives were synthesized and analyzed for their biological activities. The compounds were tested for their inhibitory effect on the phosphorylating activity of the protein kinase CK2, and their antioxidant activity was also determined in three commonly used assays. The hydrazones were evaluated for their radical scavenging against the DPPH, ABTS and peroxyl radicals. Several compounds have been identified as good antioxidants as well as potent protein kinase CK2 inhibitors. Most hydrazones containing a 4-N(CH3)2 residue or perfluorinated phenyl rings showed high activity in the radical-scavenging assays and possess nanomolar IC50 values in the kinase assays. 相似文献
10.
《Ceramics International》2022,48(6):8325-8330
In this work, we propose a facile approach to fabricate Ti4+-doped Li3V2(PO4)3/C (abbreviated as C-LVTP) nanofibers using an electrospinning route followed by a high temperature treatment. In this designed nanocomposite, the ultrafine LVTP dots are homogeneously dispersed into one-dimensional carbon nanofibers and the Ti4+ doping does not destroy the crystal structure of monoclinic Li3V2(PO4)3. Compared to the undoped Li3V2(PO4)3/C (abbreviated as C-LVP), the as-fabricated C-LVTP fibers present higher reversible capacity, superior high-rate capability as well as better cyclic property. Especially, the C-LVT7%P cathode delivers not only high capacities of 187.2 and 160.3 mAh g?1 at 0.5 and 10 C respectively, but also stable cyclic property with the reversible capacity of 135.8 mAh g?1 at 20 C following 500-cycle spans. The good battery characteristics of C-LVT7%P can be mainly ascribed to Ti4+ doping, which can increase the electrical conductivity and Li+ diffusion coefficient. 相似文献