全文获取类型
收费全文 | 163篇 |
免费 | 28篇 |
国内免费 | 58篇 |
专业分类
化学 | 179篇 |
晶体学 | 12篇 |
数学 | 1篇 |
物理学 | 57篇 |
出版年
2024年 | 2篇 |
2022年 | 13篇 |
2021年 | 10篇 |
2020年 | 13篇 |
2019年 | 9篇 |
2018年 | 9篇 |
2017年 | 7篇 |
2016年 | 7篇 |
2015年 | 11篇 |
2014年 | 10篇 |
2013年 | 10篇 |
2012年 | 10篇 |
2011年 | 10篇 |
2010年 | 12篇 |
2009年 | 13篇 |
2008年 | 9篇 |
2007年 | 14篇 |
2006年 | 18篇 |
2005年 | 11篇 |
2004年 | 8篇 |
2003年 | 8篇 |
2002年 | 3篇 |
2001年 | 2篇 |
2000年 | 3篇 |
1999年 | 5篇 |
1998年 | 2篇 |
1997年 | 2篇 |
1996年 | 1篇 |
1995年 | 3篇 |
1994年 | 4篇 |
1993年 | 3篇 |
1992年 | 2篇 |
1991年 | 1篇 |
1989年 | 1篇 |
1988年 | 1篇 |
1987年 | 1篇 |
1976年 | 1篇 |
排序方式: 共有249条查询结果,搜索用时 78 毫秒
101.
Using surface supercells and the density-functional method, surface formation energies are calculated for probable GaP(0 0 1) reconstructions without and with indium or/and boron substitutions. Obtained surface stability diagrams provide surface compositions and surface structures in dependence on the growth conditions: indium atoms are built into the c(4 × 4) patterns under strongly P-rich conditions and into the β2(2 × 4) reconstruction under less P-rich conditions. Under In-rich and non-P-rich conditions, initial structures of metallic InGa phases are formed in the (2 × 4) mixed-dimer reconstruction. In the c(4 × 4) and (2 × 4) mixed-dimer patterns the full range of In:Ga content is accessible by variation of the In:Ga ratio in the gas phase. Boron can be built into the c(4 × 4) patterns of the GaP(0 0 1) surface in form of isolated atoms or nearest-neighbours under strongly P-rich and moderately to strongly B-rich conditions. The boron incorporation is strongly enhanced at the surface in respect to theoretical predictions for the bulk, what explains the larger content found experimentally. Assuming P-rich conditions, which are suitable for the growth of the ternary alloys, the obtained surface stability diagram for the quaternary (BInGa)P shows that nearly the full range of In:Ga content is accessible. However, the boron content in the alloy is restricted as found analogously for (BGa)P and is independent of the indium content. The expected increase of the boron content in presence of indium cannot be confirmed. Contrary to the analogous GaAs systems, boron atoms do not substitute phosphor atoms (antisite position) in GaP, (InGa)P, (BGa)P, and (BInGa)P. 相似文献
102.
采用浸渍法及程序升温还原法制备了Ni2P/SiO2和Ni/SiO2催化剂,利用N2吸附-脱附、X射线衍射、X射线荧光、CO化学吸附、氢气程序升温脱附及氨气程序升温脱附等手段对催化剂进行了表征并用于甘油氢解反应.结果表明,Ni2P/SiO2和Ni/SiO2具有相近的表面Ni密度,但前者表面酸中心和表面氢物种(包括吸附氢和溢流氢)密度明显更高,且在甘油氢解反应中的活性也更高,这与其酸性中心与金属中心之间的协同作用有关.Ni2P/SiO2催化剂上主要产物为1,2-丙二醇及1-丙醇,而Ni/SiO2催化剂上主要产物为1,2-丙二醇、乙二醇和乙醇.提高反应温度和H2压力不能促进Ni2P/SiO2上乙醇和乙二醇的生成,但促进了1,2-丙二醇进一步氢解转化为1-丙醇.由此可见,Ni2P/SiO2具有较强的C-O键断裂活性及较弱的C-C键断裂活性,这可能分别与其较多酸性中心和电子及几何结构性质密切相关. 相似文献
103.
A theoretical investigation of the band alignment of type-I direct band gap dilute nitride phosphide alloy of GaN_xAs_yP_(1-x-y)/GaP quantum wells on GaP substrates 下载免费PDF全文
The GaP-based dilute nitride direct band gap material Ga(NAsP) is gaining importance due to the monolithic integra- tion of laser diodes on Si microprocessors. The major advantage of this newly proposed laser material system is the small lattice mismatch between GaP and Si. However, the large threshold current density of these promising laser diodes on Si substrates shows that the carrier leakage plays an important role in Ga(NAsP)/GaP QW lasers. Therefore, it is necessary to investigate the band alignment in this laser material system. In this paper, we present a theoretical investigation to optimize the band alignment of type-I direct band gap GaNxAsyP1-x-y/GaP QWs on GaP substrates. We examine the effect of nitrogen (N) concentration on the band offset ratios and band offset energies. We also provide a comparison of the band alignment of type-I direct band gap GaNxAsyP1-x-y/GaP QWs with that of the GaNxAsyP1-x-y/Al2Ga1-2P QWs on GaP substrates. Our theoretical calculations indicate that the incorporations of N into the well and AI into the barrier improve the band alignment compared to that of the GaAsP/GaP QW laser heterostructures. 相似文献
104.
105.
Cummins CC 《Angewandte Chemie (International ed. in English)》2006,45(6):862-870
Anionic terminal one-atom nitride, phosphide, and carbide complexes are excellent starting materials for the synthesis of ligands containing low-coordinate phosphorus centers in the protecting coordination sphere of the metal complex. Salt-elimination reactions with chlorophosphanes lead to phosphaisocyanide, iminophosphinimide, and diorganophosphanylphosphinidene complexes in which the unusual phosphorus ligands are stabilized by coordination. X-ray structure analyses and density-functional calculations illuminate the bonding in these compounds. 相似文献
106.
Cross-sectional scanning tunneling microscopy and spectroscopy have been used to probe the unreconstructed (1 1 0) surface of a commercially available buried heterostructure laser in ultra high vacuum. Complex re-growth above the non-linear blocking layers is shown to induce tensile strain in the device. Spectroscopic measurements show an increase in both the density of filled valence band states and empty conduction band states as a result of the strain, with a particularly large increase at −3.1 V. Current imaging tunneling spectroscopy measurements show an increase in the tunneling current in to and out of the strained regions at both gap voltage polarities, consistent with the spectroscopy. Moving towards tensile strain, InP is known to maintain much the same bandgap, with the split-off level and lower lying states being drawn up towards the valence band edge, consistent with the data. 相似文献
107.
S.J. Wang N.F. Sun L.J. Gao Y.L. Shi H.M. Shao X.L. Li Y. Wang L.J. Fu H.S. Liu T.N. Sun 《Crystal Research and Technology》2015,50(8):668-675
Submicron, micron and millimeter‐scale In‐rich inclusions with different polyhedral morphologies are observed, which are directionally embedded in the InP matrix along <011> direction. The arrangement direction and morphological change of the In‐rich inclusions at different scales are investigated to reveal their morphology evolution. The relative size of the facets ({100} and {111}P/In) bounding the polyhedral In‐rich inclusions is different from the reported results in other crystals, especially when the size of In‐rich inclusions is up to millimeter‐scale. The growth rate dispersion effect and the initial morphologies of the In‐rich droplets have an obvious effect on the final shape of the In‐rich inclusions. Dislocation enrichment surrounding the In‐rich inclusion is observed, which is contributed to the volume expansion of liquid‐solid phase transition and the difference of the thermal expansion coefficient and thermal conductivity between In‐rich droplet and InP matrix. The size and shape of the dislocation enriched region are closely related to the size and shape of the originating In‐rich droplet and the growth condition. 相似文献
108.
To rationally design efficient and cost‐effective electrocatalysts, a simple but efficient strategy has been developed to directly anchor prussian blue analogue (PBA) nanocubes on cobalt hydroxide nanoplates (PBA@Co(OH)2) via the in‐situ interfacial precipitation process. Subsequently, the thermal treatment in the presence of sodium hydrogen phosphite enabled the successful transition into metal phosphides with the hierarchical cube‐on‐plate structure. When used as electrocatalytsts, the obtained bimetal phosphides exhibited good bifunctional electrocatalytic activities for hydrogen and oxygen evolution reactions with good long‐term stability. Thus, an enhanced performance for overall water splitting can be achieved, which could be ascribed to the hierarchical structure and favorable composition of as‐prepared bimetal phosphide for rapid electron and mass transfer. The present study demonstrates a favorable approach to modulate the composition and structure of metal phosphide for enhancing the electrocatalytic ability toward water splitting. 相似文献
109.
将磷化镍纳米片均匀负载到石墨烯(G)上制备出Ni2P/G复合材料,并将其作为硫载体构筑了硫基复合材料(S/Ni2P/G)。研究表明,磷化镍纳米片对可溶性多硫化物具有强的化学作用和较高的电催化活性,使S/Ni2P/G硫基复合材料表现出良好的电化学性能。特别是,在高硫含量(80.3%)和低电解液用量(15μL·mg-1)条件下,S/Ni2P/G硫基复合材料展现出1 164.7mAh·g-1的质量比容量和良好的循环稳定性。此外,S/Ni2P/G复合材料具有高的振实密度(1.02 g·cm-3),其体积比容量高达954.0mAh·cm-3,约为S/G复合材料体积比容量的1.6倍。 相似文献
110.
采用10% H2S/H2对Ni2P/SiO2催化剂进行预处理,利用X射线衍射、电感耦合等离子发射光谱、X射线光电子能谱、CO化学吸附、H2程序升温脱附、NH3程序升温脱附及活性评价等方法研究了H2S预处理对催化剂结构和氯苯加氢脱氯反应性能的影响.结果表明,即使在873K进行H2S预处理,Ni2P/SiO2催化剂体相结构及Ni2P晶粒大小没有发生变化,但导致Ni2P晶粒表面形成了磷硫镍相(NiPxSy),同时使表面溢流氢数量增加.硫物种的存在不仅阻塞了部分镍中心,使催化剂表面镍中心密度降低,也导致镍中心的缺电子性进一步增加.经H2S预处理后Ni2P/SiO2催化剂上氯苯加氢脱氯反应的转化频率(TOF)明显提高,这可能与催化剂表面Ni物种的缺电子性增强及溢流氢数量增多有关. 相似文献