全文获取类型
收费全文 | 2216篇 |
免费 | 217篇 |
国内免费 | 103篇 |
专业分类
电工技术 | 167篇 |
综合类 | 135篇 |
化学工业 | 596篇 |
金属工艺 | 63篇 |
机械仪表 | 46篇 |
建筑科学 | 5篇 |
矿业工程 | 25篇 |
能源动力 | 350篇 |
轻工业 | 22篇 |
水利工程 | 3篇 |
石油天然气 | 56篇 |
武器工业 | 31篇 |
无线电 | 449篇 |
一般工业技术 | 238篇 |
冶金工业 | 11篇 |
原子能技术 | 11篇 |
自动化技术 | 328篇 |
出版年
2024年 | 13篇 |
2023年 | 93篇 |
2022年 | 154篇 |
2021年 | 137篇 |
2020年 | 134篇 |
2019年 | 119篇 |
2018年 | 91篇 |
2017年 | 110篇 |
2016年 | 95篇 |
2015年 | 97篇 |
2014年 | 130篇 |
2013年 | 152篇 |
2012年 | 155篇 |
2011年 | 154篇 |
2010年 | 125篇 |
2009年 | 136篇 |
2008年 | 103篇 |
2007年 | 103篇 |
2006年 | 85篇 |
2005年 | 82篇 |
2004年 | 75篇 |
2003年 | 44篇 |
2002年 | 35篇 |
2001年 | 26篇 |
2000年 | 23篇 |
1999年 | 17篇 |
1998年 | 13篇 |
1997年 | 4篇 |
1996年 | 4篇 |
1995年 | 7篇 |
1994年 | 5篇 |
1993年 | 2篇 |
1992年 | 3篇 |
1991年 | 1篇 |
1990年 | 2篇 |
1988年 | 2篇 |
1983年 | 1篇 |
1981年 | 2篇 |
1980年 | 1篇 |
1951年 | 1篇 |
排序方式: 共有2536条查询结果,搜索用时 31 毫秒
1.
《International Journal of Hydrogen Energy》2022,47(80):33955-33965
We report the study of conductive polyaniline (PANI) chain embedded Ti-MOF functionalized with CoS as a cocatalyst for hydrogen evolution reaction (HER) application. The post synthetically modified hybrid photocatalyst PANI/Ti-MOF/CoS greatly influences the redox and e? ? h+ separation process and exhibits an impressive rate of HER (~1322 μmol h?1g?1), suppressing the pristine Ti-MOF (~62 μmol h?1g?1) with apparent quantum yield (AQY) of ~3.2 and transient current response of ~46.4 μA cm?2. In this system, Ti-MOF provides the circulation of Ti3+ and Ti4+ to the reaction of photocatalytic H2 generation, where the additional PANI and CoS amended the performance of H2 production through electron enrichment and thereby improving the stability and integrity of Ti-MOF. The Electrochemical studies demonstrated increased photocurrent by interweaving Ti-MOF crystal with PANI through cation-π interaction thereby enhancing interface connection and then promoting electron transfers. The charge dynamics revealed the initial charge transfer from photoexcited PANI to encapsulated MOF framework to boost the photocatalytic performance of the system. Further, the electron movement at the Ti-MOF/CoS interface is investigated through work function and electrochemical potential of electrons (Fermi level). DFT results demonstrate the importance of CoS in improving the photocatalytic performance of hybrid Ti-MOF catalyst, which leads to superior catalytic behaviour. These results establish that the encapsulation of catalytic active sites inside MOFs with desirable energy band gaps would be an ideal choice for the production of solar fuels. 相似文献
2.
《International Journal of Hydrogen Energy》2022,47(16):9566-9578
The construction of heterostructure is an effective strategy to synergetically couple wide-band-gap with the narrow-band-gap semiconductor with a mediate optical property and charge transfer capability. Herein, the Z-Scheme CdS/ZnSnO3 (CdS/ZSO) heterostructures were constructed by anchoring CdS nanoparticles on the surface of double-shell hollow cubic ZnSnO3 via the hydrothermal method. The direct recombination of excited electrons in the conduction band (CB) of ZSO and holes in the valence band (VB) of CdS via d-p conjugation at the interface greatly accelerated the internal electric field (IEF). The transfer mode follows the Z-Scheme mechanism, where CdS/ZSO synergistically facilitates the efficient charges transfer from CdS to ZnSnO3 through the intimate interface. Here, ZnSnO3 and CdS serve as an oxidation photocatalyst (OP) and reduction photocatalyst (RP), respectively. Thus, it can promote synergistically the oxidation half-reaction and reduction half-reaction of H2 evolution. The density-functional theory (DFT) calculation further confirms the charges transfer from CdS to ZnSnO3. The hydrogen evolution of 5% CdS/ZSO heterostructure reached 1167.3 μmol g?1, which was about 8 and 3 folds high compared to pristine ZSO (141.9 μmol g?1) and CdS (315.5 μmol g?1), during 3 h of reaction respectively. Furthermore, the CdS/ZSO heterostructures could suppress the photo corrosion of CdS, resulting in its high stability. This work is expected to enlighten the rational design of heterostructure for OP and RP to promote the hybrid heterostructures photocatalytic H2 evolution. 相似文献
3.
Liangtao Yang Liang-Yin Kuo Juan Miguel López del Amo Prasant Kumar Nayak Katherine A. Mazzio Sebastian Maletti Daria Mikhailova Lars Giebeler Payam Kaghazchi Teófilo Rojo Philipp Adelhelm 《Advanced functional materials》2021,31(38):2102939
A known strategy for improving the properties of layered oxide electrodes in sodium-ion batteries is the partial substitution of transition metals by Li. Herein, the role of Li as a defect and its impact on sodium storage in P2-Na0.67Mn0.6Ni0.2Li0.2O2 is discussed. In tandem with electrochemical studies, the electronic and atomic structure are studied using solid-state NMR, operando XRD, and density functional theory (DFT). For the as-synthesized material, Li is located in comparable amounts within the sodium and the transition metal oxide (TMO) layers. Desodiation leads to a redistribution of Li ions within the crystal lattice. During charging, Li ions from the Na layer first migrate to the TMO layer before reversing their course at low Na contents. There is little change in the lattice parameters during charging/discharging, indicating stabilization of the P2 structure. This leads to a solid-solution type storage mechanism (sloping voltage profile) and hence excellent cycle life with a capacity of 110 mAh g-1 after 100 cycles. In contrast, the Li-free compositions Na0.67Mn0.6Ni0.4O2 and Na0.67Mn0.8Ni0.2O2 show phase transitions and a stair-case voltage profile. The capacity is found to originate from mainly Ni3+/Ni4+ and O2-/O2-δ redox processes by DFT, although a small contribution from Mn4+/Mn5+ to the capacity cannot be excluded. 相似文献
4.
5.
Theoretical investigation of solvent effects on the selective hydrogenation of furfural over Pt(111)
Jian Wang Cun-Qin Lv Jian-Hong Liu Rong-Rong Ren Gui-Chang Wang 《International Journal of Hydrogen Energy》2021,46(2):1592-1604
It was well known that solvent effect plays a very important role in the catalytic reaction. There are many theoretical studies on the solvent effect in homogeneous catalysis while there are few theoretical studies on the solvent effect in the heterogeneous catalytic reaction and there has been no work to investigate the solvent effect on furfural transformation in heterogeneous catalysis. In the present work, both the density functional calculations and the microkinetic analysis were performed to study the selective hydrogenation of furfural over Pt(111) in the presence of methanol as well as toluene and compared with that in the gas condition. The present results indicated that the methanol can enhance the adsorption strength of furfural and other oxygen-containing reaction species due to its relatively strong polarity properties and this can be a main reason for solvent-induced high activity and selectivity. Another reason is that reaction paths study showed that the presence of methanol solvent makes the dehydrogenation of furfural less thermochemical due to the fact that furfural is more stabilized than that of dehydrogenation species, and methanol also has an inhibition effect on the dehydrogenation of furfural in the kinetic aspect, and further energetic span theory proves highest activity and selectivity for hydrogenation in methanol solvent of vapor, methanol and toluene. Moreover, microkinetic model simulation demonstrated that the activity and selectivity of hydrogenation in methanol is both higher than that in vapor and toluene. The much higher activity in methanol is due to the stabilized adsorbed reactants in the surface, which leads to a higher surface coverage of furfural. It might be proposed based on the present work that a solvent with relatively strong polarity may be favorable for the high selective hydrogenation of furfural. 相似文献
6.
The potential energy profile of the reaction between dimethyl disulfide and OH? radicals is explored by utilizing ab initio and hybrid meta density functional theory methods. Having the energies and structural data of the stationary points, statistical rate theories, such as transition state theory and variable reaction coordinate-transition state theory, are employed to compute the overall rate constants, and discuss the mechanism and product channels. On the basis of the calculations, the overall rate coefficient is predicted to be 2.49?×?10?10?cm3?molecule?1?s?1 at 298?K. It is found that in the most favorable pathway, the reaction proceeds via formation of the relatively unstable intermediate CH3S?(OH)SCH3 decomposing rapidly to yield CH3S?+CH3SOH. 相似文献
7.
The structural, elastic, and thermodynamic properties of ZnGeP2 with chalcopyrite structure are investigated using the pseudo-potentials plane wave method based on the density functional theory with the generalized gradient approximation. The lattice parameters (a, c and u) are directly calculated and agree well with previous experimental and theoretical results. The obtained negative formation enthalpy shows that ZnGeP2 crystal has strong structural stability. We have also calculated the bulk modulus B and the elastic parameters (C11, C12, C13, C33, C44, and C66) which have not been measured yet. The accuracy and reliability of the calculated elastic constants of ZnGeP2 crystal are discussed. In addition, the pressure and temperature dependencies of the lattice parameters, bulk modulus, Debye temperature, Grüneisen parameter, entropy, volume thermal expansion coefficient, and specific heat capacity are obtained in the ranges of 0–20 GPa and 0–1200 K using the quasi-harmonic Debye model. To our knowledge this is the first quantitative theoretical prediction of the thermodynamic properties for ZnGeP2 compound and still awaits experimental confirmations. 相似文献
8.
Zdeněk Slanina Filip Uhlík Lipiao Bao Takeshi Akasaka Xing Lu Ludwik Adamowicz 《Fullerenes, Nanotubes and Carbon Nanostructures》2020,28(7):565-570
AbstractRelative populations of four energy-lowest IPR (isolated-pentagon-rule) isomers of Eu@C86 are computed using the Gibbs energy based on characteristics from density functional theory calculations (M06-2X/3-21G?~?SDD entropy term, M06-2X/6-31G*~SDD or B2PLYP(D)/6-31G*~SDD energetics). The calculations confirm that the recently isolated Eu@C1(7)-C86 species is a major isomer in a relevant temperature region. Relationship to the empty C86 cages is discussed, too. 相似文献
9.
文章针对一维长序DFT计算问题,分析其计算结构以及算法的并行性,提出一种阵列协处理结构.并分析这种协处理机结构上DFT计算的组织及具体实施算法步骤和方法,并对这种协处理阵列结构上运行的DFT进行复杂性分析。这对计算DFT专用集成协处理结构芯片开发,提高专用嵌套系统性能非常实用。 相似文献
10.
Frank te Beest Ad Peeters Kees van Berkel Hans Kerkhoff 《Journal of Electronic Testing》2003,19(4):397-406
Handshake circuits form a special class of asynchronous circuits that has enabled the industrial exploitation of the asynchronous potential such as low power, low electromagnetic emission, and increased cryptographic security. In this paper we present a test solution for handshake circuits that brings synchronous test-quality to asynchronous circuits. We add a synchronous mode of operation to handshake circuits that allows full controllability and observability during test. This technique is demonstrated on some industrial examples and gives over 99% stuck-at fault coverage, using test-pattern generators developed for synchronous circuits. The paper describes how such a full-scan mode can be achieved, including an approach to minimize the number of dummy latches in case latches are used in the data path of the handshake circuit. 相似文献