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71.
Quantum states of a hydrogenic donor impurity in a cubic quantum dot by the finite difference method
C.S. Yang 《Microelectronics Journal》2008,39(12):1469-1471
The problem of a hydrogenic donor impurity in a cubic quantum dot with finite confinement potential is solved by the finite difference method. The discretized matrix equation needs to be solved for its eigenvalues and eigenfunctions. An algorithm of nonlinear programming is utilized for this problem. The results match references qualitatively in the weak regime, but introduce new problems in the strong and intermediate regimes. 相似文献
72.
《Journal of dairy science》2019,102(11):10291-10303
Maternal supply of methyl donors such as methionine (Met) during late pregnancy can affect offspring growth and development. The objective was to investigate the effect of postruminal Met supply during late pregnancy on 1-carbon, Met cycle, and transsulfuration pathways in the calf liver. During the last 28 d of pregnancy, cows were individually fed a control diet or the control diet plus rumen-protected dl-Met (MET; 0.09% dry matter intake). Liver samples obtained from calves (n = 14/group) at 4, 14, 28, and 50 d of age were used for metabolomics, real-time PCR, and enzyme activity analyses. Genes associated with 1-carbon metabolism, DNA methylation, and the cytidine 5′-diphosphocholine–choline pathway were analyzed via real-time PCR. Activity of betaine homocysteine methyltransferase, cystathionine β-synthase, and 5-methyltetrahydrofolate homocysteine methyltransferase (MTR) was analyzed using 14C isotopes. Data were analyzed using a mixed model that included the fixed effects of maternal treatment, day, and their interaction, and the random effect was calf within maternal diet. Calves born to dams offered MET tended to have greater birth body weight and had overall greater body weight during the first 9 wk of life. However, no differences were detected for daily feed intake and average daily gain between groups. Concentrations of betaine and choline, reflecting Met cycle activity, at d 14 through 28 were greater in MET calves. Transsulfuration pathway intermediates also were altered in MET calves, with concentrations of cysteine sulfinic acid and hypotaurine (d 4 and 14) and taurine being greater (d 4, 14, 28, and 50). Despite the lack of differences in daily feed intake, the greater concentrations of the tricarboxylic acid cycle intermediates fumarate and glutamate along with NAD/NADH in MET calves indicated enhanced rates of energy metabolism. Although activity of betaine homocysteine methyltransferase was greater in MET calves at d 14, cystathionine β-synthase was lower and increased at d 14 and 28, where it was greater compared with the control diet. Activity of MTR was lower at d 4 and 50 in MET calves. Among gene targets measured, MET calves had greater overall expression of MTR, phosphatidylethanolamine N-methyltransferase, and choline kinase α and β. An interaction of maternal diet by time was detected for mRNA abundance of DNA methyltransferase 3α (involved in de novo methylation) due to greater values at d 4 and 14 in MET calves. Overall, the data indicate that enhanced postruminal supply of Met to cows during late pregnancy may program hepatic metabolism of the calf in the context of maintaining Met homeostasis, phosphatidylcholine and taurine synthesis, DNA methylation, and energy metabolism. These alterations potentially result in better efficiency of nutrient use, hence conferring the calf a physiologic advantage during a period of rapid growth and development. The precise biologic mechanisms remain to be established. 相似文献
73.
Wenyan Ma Lian-Wei Luo Peihua Dong Peiyun Zheng Xiuhua Huang Chong Zhang Jia-Xing Jiang Yong Cao 《Advanced functional materials》2021,31(45):2105027
Recent studies have demonstrated that dihydrophenazine (Pz) with high redox-reversibility and high theoretical capacity is an attractive building block to construct p-type polymer cathodes for dual-ion batteries. However, most reported Pz-based polymer cathodes to date still suffer from low redox activity, slow kinetics, and short cycling life. Herein, a donor–acceptor (D–A) Pz-based conjugated microporous polymer (TzPz) cathode is constructed by integrating the electron-donating Pz unit and the electron-withdrawing 2,4,6-triphenyl-1,3,5-triazine (Tz) unit into a polymer chain. The D–A type structure enhances the polymer conjugation degree and decreases the band gap of TzPz, facilitating electron transportation along the polymer skeletons. Therefore the TzPz cathode for dual-ion battery shows a high reversible capacity of 192 mAh g−1 at 0.2 A g−1 with excellent rate performance (108 mAh g−1 at 30 A g−1), which is much higher than that of its counterpart polymer BzPz produced from 1,3,5-triphenylbenzene (Bz) and Pz (148 and 44 mAh g−1 at 0.2 and 10 A g−1, respectively). More importantly, the TzPz cathode also shows a long and stable cyclability of more than 10 000 cycles. These results demonstrate that the D–A structural design is an efficient strategy for developing high-performance polymer cathodes for dual-ion batteries. 相似文献
74.
Jin He Young Jin Jo Xianglang Sun Weiguo Qiao Jehyung Ok Tae-il Kim Zhong'an Li 《Advanced functional materials》2021,31(12):2008201
Squaraine dyes (SQs) are an important class of polymethine dyes with a unique reasonable-stabilized zwitterionic structure, in which electrons are highly delocalized over the conjugated bridge. These dyes can not only be easily synthesized via a condensation, but also exhibit intense absorption and emission in the visible and near-infrared region with excellent photochemical stability, making them attractive material candidates for many photoelectric and biomedical applications. Thus, in this review, after an introduction of SQs, the recent advances of SQs in the photovoltaic field are comprehensively summarized including dye-sensitized solar cells, organic solar cells, and perovskite solar cells. Then, the important advances in the use of SQs as the biosensors, biological imaging, and photodynamic/photothermal therapy reagents in the biomedical field are also discussed. Finally, a summary and outlook will be provided with some new perspectives for the future design of SQs. 相似文献
75.
A new planar A-D-A structured organic small molecule semiconductor (O-SMS) with dialkyl-thiophene substituted benzodithiophene (BDT) as central electron-rich core flanked by relatively electron-deficient units of [1,2,5]thiadiazolo[3,4-c]pyridine (PTz) and terminated with alkyl-bithiophene as π-conjugated end-caps, BDTDPTz, was designed and synthesized for the application as donor material in organic solar cells (OSCs). BDTDPTz possesses wider absorption spectra with an optical bandgap of 1.65 eV, lower the highest occupied molecular orbital (HOMO) energy level of −5.42 eV and highly crystalline structures in solid films. The OSCs based on BDTDPTz:PC71BM blend film with a lower PC71BM content of 40% demonstrate a power conversion efficiency (PCE) of 6.28% with a relatively higher open-circuit voltage of 0.868 V and short circuit current density of 12.83 mA cm−2. These results indicate that highly coplanar and crystalline structure of BDTDPTz can effectively reduce the content of fullerene acceptor in the active layer and then enhance the absorption and PCE of the OSCs. 相似文献
76.
77.
Yeoheung Yoon Anand P. Tiwari Min Choi Travis G. Novak Wooseok Song Hyunju Chang Taehyoung Zyung Sun Sook Lee Seokwoo Jeon Ki‐Seok An 《Advanced functional materials》2019,29(30)
The insufficient strategies to improve electronic transport, the poor intrinsic chemical activities, and limited active site densities are all factors inhibiting MXenes from their electrocatalytic applications in terms of hydrogen production. Herein, these limitations are overcome by tunable interfacial chemical doping with a nonmetallic electron donor, i.e., phosphorization through simple heat‐treatment with triphenyl phosphine (TPP) as a phosphorous source in 2D vanadium carbide MXene. Through this process, substitution, and/or doping of phosphorous occurs at the basal plane with controllable chemical compositions (3.83–4.84 at%). Density functional theory (DFT) calculations demonstrate that the P? C bonding shows the lowest surface formation energy (ΔGSurf) of 0.027 eV Å?2 and Gibbs free energy (ΔGH) of –0.02 eV, whereas others such as P‐oxide and P? V (phosphide) show highly positive ΔGH. The P3–V2CTx treated at 500 °C shows the highest concentration of P? C bonds, and exhibits the lowest onset overpotential of –28 mV, Tafel slope of 74 mV dec?1, and the smallest overpotential of ‐163 mV at 10 mA cm?2 in 0.5 m H2SO4. The first strategy for electrocatalytically accelerating hydrogen evolution activity of V2CTx MXene by simple interfacial doping will open the possibility of manipulating the catalytic performance of various MXenes. 相似文献
78.
Alexander Giovannitti Reem B. Rashid Quentin Thiburce Bryan D. Paulsen Camila Cendra Karl Thorley Davide Moia J. Tyler Mefford David Hanifi Du Weiyuan Maximilian Moser Alberto Salleo Jenny Nelson Iain McCulloch Jonathan Rivnay 《Advanced materials (Deerfield Beach, Fla.)》2020,32(16):1908047
Avoiding faradaic side reactions during the operation of electrochemical devices is important to enhance the device stability, to achieve low power consumption, and to prevent the formation of reactive side-products. This is particularly important for bioelectronic devices, which are designed to operate in biological systems. While redox-active materials based on conducting and semiconducting polymers represent an exciting class of materials for bioelectronic devices, they are susceptible to electrochemical side-reactions with molecular oxygen during device operation. Here, electrochemical side reactions with molecular oxygen are shown to occur during organic electrochemical transistor (OECT) operation using high-performance, state-of-the-art OECT materials. Depending on the choice of the active material, such reactions yield hydrogen peroxide (H2O2), a reactive side-product, which may be harmful to the local biological environment and may also accelerate device degradation. A design strategy is reported for the development of redox-active organic semiconductors based on donor–acceptor copolymers that prevents the formation of H2O2 during device operation. This study elucidates the previously overlooked side-reactions between redox-active conjugated polymers and molecular oxygen in electrochemical devices for bioelectronics, which is critical for the operation of electrolyte-gated devices in application-relevant environments. 相似文献
79.
Feng-Dong Wang Li-Juan Yang Xin-Xin Wang Yi Rong Li-Bin Yang Chen-Xi Zhang Fang-You Yan Qing-Lun Wang 《Small (Weinheim an der Bergstrasse, Germany)》2023,19(23):2207421
The well-defined 2D or 3D structure of covalent organic frameworks (COFs) makes it have great potential in photoelectric conversion and ions conduction fields. Herein, a new donor–accepter (D–A) COF material, named PyPz-COF, constructed from electron donor 4,4′,4″,4′″-(pyrene-1,3,6,8-tetrayl)tetraaniline and electron accepter 4,4′-(pyrazine-2,5-diyl)dibenzaldehyde with an ordered and stable π-conjugated structure is reported. Interestingly, the introduction of pyrazine ring endows the PyPz-COF a distinct optical, electrochemical, charge-transfer properties, and also brings plentiful CN groups that enrich the proton by hydrogen bonds to enhance the photocatalysis performance. Thus, PyPz-COF exhibits a significantly improved photocatalytic hydrogen generation performance up to 7542 µmol g−1 h−1 with Pt as cocatalyst, also in clear contrast to that of PyTp-COF without pyrazine introduction (1714 µmol g−1 h−1). Moreover, the abundant nitrogen sites of the pyrazine ring and the well-defined 1D nanochannels enable the as-prepared COFs to immobilize H3PO4 proton carriers in COFs through hydrogen bond confinement. The resulting material has an impressive proton conduction up to 8.10 × 10−2 S cm−1 at 353 K, 98% RH. This work will inspire the design and synthesis of COF-based materials with both efficient photocatalysis and proton conduction performance in the future. 相似文献
80.
Charge density and bare surface barrier height in GaN/AlGaN/GaN heterostructures: A modeling and simulation study 下载免费PDF全文
In this article, we present a physics‐based model to explain the effect of the GaN cap layers on the 2D electron gas density and the bare surface barrier height in AlGaN/GaN heterostructures. We consider that the 2DEG originates from the surface donor states present on the GaN cap top surface. The influence of a 2D hole gas, formed when the valence band crosses the Fermi energy level, has also been considered. This model agrees well with the published experimental results and TCAD simulations, and can easily be incorporated into the modeling of GaN/AlGaN/GaN‐based HEMT devices. 相似文献