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1.
We present the design and study of waveguide structures based on porous silicon where the light confinement is not due to the usual total reflection effect but to the use of photonic crystals (PCs) as confining walls. These PC are omnidirectional mirrors (OMs), consisting of the periodic repetition of two porous silicon layers with different refractive indices and thicknesses. They reflect the radiation for all angles of incidence within a frequency range called the omnidirectional band gap (OBG). We have followed the PC formalism to investigate the properties of the OM as a multimode waveguide: the number of modes within the band gap, their field spatial distribution and their confinement as a function of the frequency and the core thickness. 相似文献
2.
3.
Chemical bonding in isolated molecules and crystals of zwitterionic pentacoordinate silicon chelates
The electronic structures of a number of zwitterionic pentacoordinate silicon chelates were investigated using the results of X-ray diffraction studies and quantum-chemical calculatoins by the MPW1PW91/6-311G(d) method. The topological analysis of the electron density distribution function and the study in the framework of the natural bond orbital partitioning scheme showed that the character of chemical bonding in the axial fragments of the molecules under consideration changes from dative to three-center, four-electron as the silicon atom assumes a trigonal-bipyramidal coordination. 相似文献
4.
《Journal of Chemical Sciences》2005,117(5):525-531
The silicon atom may increase its coordination number to values greater than four, to form pentacoordinated compounds. It
has been observed experimentally that, in general, pentacoordinated compounds show greater reactivity than tetracoordinated
compounds. In this work, density functional theory is used to calculate the global softness and the condensed softness of
the silicon atom for SiH
n
F4−n
and SiH
n
F
5−n
1−
. The values obtained show that the global and condensed softness are greater in the pentacoordinated compounds than in the
tetracoordinated compounds, a result that explains the enhanced reactivity. If the results are analysed through a local version
of the hard and soft acids and bases principle, it is possible to suggest that in nucleophilic substitution reactions, soft
nucleophiles preferably react with SiH
n
F
5−n
1−
, and hard nucleophiles with SiH
n
F4−n
. 相似文献
5.
6.
7.
The trisilanol 1,3,5‐(HOi‐Bu2Si)3C6H3 ( 7 ), prepared in three steps from 1,3,5‐tribromobenzene via the intermediates 1,3,5‐(Hi‐Bu2Si)3C6H3 ( 8 ) and 1,3,5‐(Cli‐Bu2Si)3C6H3 ( 9 ) forms an equimolar complex with trans‐bis(4‐pyridyl)ethylene (bpe), 7 ·bpe, whose structure was investigated by X‐ray crystallography. The hydrogen‐bonded network features a number of SiO? H(H)Si and SiO? H hydrogen bridges. Evidence was found for cooperative strengthening within the sequential hydrogen bonds. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
8.
Materials from the Mn(0.5−x)CaxTi2(PO4)3 (0≤x≤0.50) solid solution were obtained by solid-state reaction in air at 1000 °C. Selected compositions were investigated by powder X-ray diffraction analysis, 31P nuclear magnetic resonance (NMR) spectroscopy and electrochemical lithium intercalation. The structure of all samples determined by Rietveld analysis is of the Nasicon type with the R
space group. Mn2+/Ca2+ ions occupy only the M1 sites in the Ti2(PO4)3 framework. The divalent cations are ordered in one of two M1 sites, except for the Mn0.50Ti2(PO4)3 phase, where a small departure from the ideal order is observed by XRD and 31P MAS NMR. The electrochemical behaviour of Mn0.50Ti2(PO4)3 and Mn(0.5−x)CaxTi2(PO4)3 phases was characterised in Li cells. Two Li ions can be inserted without altering the Ti2(PO4)3 framework. In the 0≤y≤2 range, the OCV curves of Li//LiyMn0.50Ti2(PO4)3 cells show two main potential plateaus at 2.90 and 2.50–2.30 V. Comparison between the OCV curves of Li//Li(1+y)Ti2(PO4)3 and Li//LiyMn0.50Ti2(PO4)3 shows that the intercalation occurs first in the unoccupied M1 site of Mn0.50Ti2(PO4)3 at 2.90 V and then, for compositions y>0.50, at the M2 site (2.50–2.30 V voltage range). The effect of calcium substitution in Mn0.50Ti2(PO4)3 on the lithium intercalation is also discussed from a structural and kinetic viewpoint. In all systems, the lithium intercalation is associated with a redistribution of the divalent cation over all M1 sites. In the case of Mn0.50Ti2(PO4)3, the stability of Mn2+ either in an octahedral or tetrahedral environment facilitates cationic migration. 相似文献
9.
H. P. Gunnlaugsson K. Bharuth-Ram M. Dietrich M. Fanciulli H. O. U. Fynbo G. Weyer 《Hyperfine Interactions》2006,169(1-3):1315-1318
We report on the detection of Fe i –B pairs in heavily B doped silicon using 57Fe emission Mössbauer spectroscopy following implantation of radioactive 57Mn+ parent ions (T 1/2?=?1.5 min) at elevated temperatures >?850 K. The Fe i –B pairs are formed upon the dissociation of Fe i –V pairs during the lifetime of the Mössbauer state (T 1/2?=?100 ns). The resulting free interstitial Fei diffuses over sufficiently large distances during the lifetime of the Mössbauer state to encounter a substitutional B impurity atom, forming Fe i –B pairs, which are stable up to ~1,050 K on that time scale. 相似文献
10.
提出用发展中的硅微机械加工技术设计制作硅一体化薄膜微电极器件.这类微电化学器件具有微电极所特有的全部优点,而且由于结构上的一体化,便于器件整体的微型化和集成化.试用薄膜微电极器件电流法常温直接检测CO2气体,取得了满意的结果。设想通过器件三维构型设计的改进和完善,器件工作的长期稳定性可望进一步提高. 相似文献