In this paper we report on tight-binding calculations of lowest unoccupied molecular orbitals states for silicon ellipsoidal nanocrystals. The electronic structure has been calculated for different nanocrystal shapes either keeping constant or varying the number of silicon atoms. We have found that changing the ellipsoid aspect ratio a non-obvious energy level structure is obtained. The implications for the infrared optical transitions and their relationship with the polarization of the radiation involved are discussed. 相似文献
Comparison of the anion binding properties of a series of uncharged macrocyclic tetraamides reveal significant effects of the receptor's size on the strength of its anion complexes. This study allowed for estimation of the optimal size of a macroring for complexation of common anions. 相似文献
The room temperature structure of perovskite CeAlO3 has been reinvestigated by X-ray powder diffraction. The Rietveld refinement has confirmed the tetragonal symmetry; but revealed a super cell, a=5.32489(6) Å and c=7.58976(10) Å, with the space group I4/mcm. In CeAlO3, the distortion from the ideal cubic perovskite is caused by the cooperative tilting of the AlO6 octahedra around the primitive cubic [001]p-axis. 相似文献
Aromatic nitro compounds were reduced to the corresponding symmetrically substituted azo compounds using lead as catalyst and triethylammonium formate as hydrogen donor. Various azo compounds containing additional reducible substituents including halogens, nitrile, acid, phenol, ester, methoxy functions, etc, have been synthesized in a single step by the use of this reagent. The conversion is reasonably fast, clean, high yielding and occurs at room temperature in methanol. 相似文献
Investigation of the methanol extract of the roots of Gnidia involucrata (Thymelaeaceae) led to the isolation and characterization of two new 3,8″‐biflavonoid diastereoisomers, named GB‐4 ( 6a ) and GB‐4a ( 6b ). Their absolute configurations were determined in mixture by on‐line LC/CD measurements, which also allowed the revision of absolute configurations of the biflavanoids GB‐1 and GB‐2, and the configurational assignment of GB‐3. 相似文献
We show that the optomechanical coupling between an optical cavity mode and two movable cavity mirrors is able to entangle
two different macroscopic oscillation modes of the mirrors. This continuous variable entanglement is maintained by the light
bouncing between the mirrors and is robust against thermal noise. In fact, it could be experimentally demonstrated using present
technology.
Received 2 September 2002 / Received in final form 10 October 2002 Published online 7 January 2003 相似文献
The influence of the substrate temperature Tsub (20–360°C) and the oxygen pressure P(O2) (5 × 10−3−0.13 Pa) in an evaporation chamber on the structure and phase composition of films prepared through laser sputtering of a vanadium target is investigated by electron diffraction and in situ transmission electron microscopy (with the use of the bend extinction contour technique for determining the bending of the crystal lattice). It is demonstrated that the oxygen content in the films increases with an increase in the oxygen pressure P(O2) at a fixed substrate temperature Tsub and decreases with an increase in the substrate temperature Tsub at a fixed oxygen pressure P(O2). The conditions responsible for the formation and composition of the crystalline (VO0.9) and amorphous (V2O3) phases in the films are determined. It is established that the phase composition of the film depends on the angle of condensation of the vapor-plasma flow. The crystallization of the V2O3 amorphous phase is accompanied by an increase in the density by 9.2%. It is revealed that the V2O3 spherulites growing in the amorphous film have a bent crystal lattice. The bending of the crystal lattice can be as large as ∼42 deg/μm.
A synthetic form of the mineral hewettite was prepared via a new route in aqueous medium, starting either from the crystalline compound Li1.1V3O8, or from its amorphous precursor. The anhydrous, crystalline derivative Ca0.5V3O8 was obtained by heating the synthetic hewettite at 250°C under dynamic vacuum. The diffraction studies show that the 2D structure of Ca0.5V3O8 involves the same V3O8 layers as in the hewettite or in Li1+αV3O8. The stacking of the layers is similar to that in the metahewettite. A structural model is proposed, where the Ca2+ ions occupy octahedral sites in the interlayer space. The electrochemical behavior of Ca0.5V3O8 vs. lithium insertion is presented. It is original and reveals particularly good performances in terms of stability during cycling at C/5 rate. The homologues obtained with Mg or Ba, instead of Ca, are briefly presented. 相似文献