Peculiarities of heavy ion channeling

Abstract

Depth distributions of implanted Mg⁺- and Ca⁺-ions and the corresponding radiation damage were studied for different channeling orientations of silicon crystals. The shape of the implantation profiles is discussed by using simple models for dechanneling and energy loss processes. A correlation between dechanneling, damage production and depth distributions of the channeled ions could be observed. This correlation is seen by the maxima shifts in damage and implanted ion distributions between channel and random incidence.     

2,6-双(三甲基锡)-4,8-双(2-乙基己氧基)苯并[1,2-b∶4,5-b']二噻吩的合成与多核NMR研究

以苯并[1,2-b∶4,5-b´]二噻吩-4,8-二酮为原料合成了一种聚合物太阳能电池材料的单体2,6-双(三甲基锡)-4,8-双(2-乙基己氧基)苯并[1,2-b∶4,5-b´]二噻吩. 通过多核1D和2D NMR技术（包括1D ¹H、¹³C、¹¹⁹Sn、¹¹⁷Sn NMR、DEPT、选择性1D TOCSY及2D¹H-¹H COSY、gHSQC、gHMBC）表征了目标分子结构,完成了 ¹H、¹³C、¹¹⁹Sn 与¹¹⁷Sn NMR化学位移归属,并探讨了该化合物的NMR谱线特征.     

一个二维梯状化合物[Ni(μ1，5-dca)2(en)]n的合成，结构和磁性(英)

A new nickel(Ⅱ)-dicyanamide compound, [Ni(dca)₂(en)]_n (1) (dca=dicyanamide anion, [N(CN)₂]^-); en=ethylene diamine), has been synthesized and its structure has been determined by single crystal X-ray diffraction analysis. The crystal is monoclinic, space group P2₁/n with unit cell dimensions: a=0.694 3(1) nm, b=1.041 5(2) nm, c=1.4132(2) nm, and β=90.381°, Z=4, V=1.011 0(3) nm³. In this compound, the adjacent nickel atoms are connected by dca all in μ_1，5-bridging mode to form ladder-like units, which are linked with double dca bridges to generate a regular infinite stair-like structure. Temperature-dependent magnetic susceptibility was also characterized for this compound. CCDC: 208276.     

Radiative decays,photoproduction and total cross section of theψ particles

It is pointed out that the coupling characterizing theψ-γ vertex must change substantially between the limits,ψ on mass-shell which occurs inψ→e ⁺ e ⁻ and photon on mass-shell which is relevant in radiative decays likeψ→ππγ, ψ→ηγ and photoproduction ofψ. This has the consequence that the value ofψN total cross section must be larger than what is inferred from the use of naive vector dominance in photoproduction.     

催化剂薄层内甲烷水蒸气重整反应强化管内对流换热的数值模拟

本文以竖直圆管内壁催化剂薄层内发生甲烷水蒸气重整反应强化对流换热作为研究对象,对其进行了数值模拟．结果发现,催化剂薄层内的吸热化学反应可以有效地强化对流换热,降低流体和壁面温度,从而对壁面起到保护作用;极限热流密度的大小与流体的入口温度有关,存在最佳入口温度使极限热流密度最大．     

Correlations of Active Galactic Nuclei with Microquasars

Correlations of active galactic nuclei (AGNs) with microquasars are discussed based on the coexistence of the Blandford-Znajek (BZ) and magnetic coupling (MC) processes (CEBZMC) in black hole (BH) accretion disk.The proportions of several quantities of BH systems for both AGNs and microquasars are derived by combining the observational data with CEBZMC. It is shown that the square of the magnetic field at the BH horizon is inversely proportional to the BH mass, while the accretion rate of the disk is proportional to the BH mass. In addition, the very steep emissivity indexes from the recent XMM-Newton observations of the nearby bright Seyfert 1 galaxy MCG-6-30-15 and the microquasars XTE J1650-500 are well fitted by considering the MC effects on the disk radiation. These results suggest strongly the correlations of A GNs with microquasars.     

Magneto optics of single photons emitted from single InAs/GaAs self-assembled quantum dots in a planar microcavity

We fully characterize the fine spectral structure of neutral and negatively charged single microcavity quantum dot excitons, using polarization-sensitive magneto-photoluminescence spectroscopy. We show that the microcavity allows the simultaneous detection of both the bright and dark excitons using Faraday configuration. Thus, we were able to fully determine the fine structure and the g-factors of the neutral and negatively charged single exciton states within the same single quantum dot. Our measurements are in excellent agreement with novel, many carrier model calculations, which take into account Coulomb and exchange interactions among all the confined e–h pair states.     

Hydrogen atom abstraction from Piperazine by hydroxyl radical: a theoretical investigation

Dual level of quantum mechanical calculations have been carried out for hydrogen abstraction from Piperazine [HN(CH₂CH₂)₂NH] initiated by OH radical. Geometry optimisation and frequency calculations of all species involved in the titled reaction have been performed at M06-2X/6-31+G(d,p) level of theory. For the accuracy in the thermochemistry and kinetics data, single-point energy calculations have been further carried out at coupled cluster CCSD(T) method along with 6-311G(d,p) basis set. An energy profile diagram for the reaction has been plotted along with pre-reactive and post-reactive complexes at entrance and exit channels. Intrinsic reaction coordinates (IRCs) calculations have been performed for identification of real transition states that connect it via reactant to product. Our result shows that the H-atom abstraction takes place from the C–H position of Piperazine. The rate constant is calculated using canonical transition state theory (CTST) is found to be 2.86 × 10^?10 cm³ molecule^?1 s^?1 which is in good agreement with the reported experimental rate constant (2.38 ± 0.28) × 10^?10 cm³ molecule^?1 s^?1 at 298 K. We have also reported rate constant for the temperature range 300–500 K. Using group-balance isodesmic reaction, the standard enthalpies of formation for Piperazine and product radicals generated by hydrogen abstraction are reported. The branching ratios for both reaction channel (i.e. H-abstraction from –CH₂ and –NH position of Piperazine) are found to be 93% and 7%, respectively. The calculated atmospheric life time of Piperazine is found to be 0.97 hour.     

Vibration-assisted coherent excitation energy transfer in a detuned dimer

The important role of high-energy intramolecular vibrational modes for excitation energy transfer in the detuned photosynthetic systems is studied. Based on a basic dimer model which consists of two two-level systems(pigments)coupled to high-energy vibrational modes, we find that the high-energy intramolecular vibrational modes can enhance the energy transfer with new coherent transfer channels being opened when the phonon energy matches the detuning between the two pigments. As a result, the energy can be effectively transferred into the acceptor. The effective Hamiltonian is obtained to reveal the strong coherent energy exchange among the donor, the acceptor, and the high-energy intramolecular.A semi-classical explanation of the phonon-assisted mechanism is also shown.