Stereodynamics of the reactions Ne+H2+/Ne+D2+/Ne+T2

The vector correlations between products and reagents for the reactions Ne+H + 2 , Ne+D + 2 , and Ne+T + 2 are calculated by means of the quasi-classical trajectory method on a new potential energy surface constructed by Lü et al. [J. Chem. Phys. 2010 132, 014303]. The polarization-dependent differential cross-sections (2π/σ)(dσ 00 /dω t ), (2π/σ)(dσ 20 /dω t ), (2π/σ)(dσ 22+ /dω t ), and (2π/σ)(dσ 21 /dω t ), and the distributions of P (θ r ), P (φ r ), and P (θ r ,φ r ) are calculated. The isotopic effect, which is associated with the difference in mass factor among the three reactions, is revealed.     

Theoretical study of the stereodynamics of the He＋HD^＋ reaction

This paper investigates the stereodynamics of the reaction He+HD+ by the quasi-classical trajectory(QCT) method using the most accurate AQUILANTI surface [Aquilanti et al 2000 Mol.Phys.98 1835].The distribution P(φr) of dihedral angle and the distribution P(θr) of angle between k and j have been presented at three different collision energies.Four generalized polarization-dependent differential cross-sections(2π/σ)(dσ00/dωt),(2π/σ)(dσ20/dωt),(2π/σ)(dσ22+/dωt),(2π/σ)(dσ21 /dωt) are also calculated.Some interesting results are obtained from the comparison of the stereodynamics of the title reaction at different collision energies.     

Ca+CH_3I→CaI+CH_3反应的矢量相关研究(英文)

本文采用准经典轨线方法,在LEPS势基础上计算了Ca+CH3I→CaI+CH3在不同碰撞能下的矢量相关计算了质心系中四个广义极化微分反应截面(2π/σ)(dσ00/dωt),(2π/σ)(dσ20/dωt),(2π/σ)(dσ22+/dωt),(2π/σ)(dσ21-/dωt),k-j′两矢量相关的P(θr)分布、k-k′-j′三矢量相关的极角分布P(φr)以及用θr和φr表示的产物转动角动量的空间分布P(θr,φr).     

The concentration quenching and crystallographic sites of Eu²⁺ in Ca₂BO₃Cl

A yellow phosphor, Ca2BO3 Cl:Eu2+ , is prepared by the high-temperature solid-state method. Under the condition of excitation sources ranging from ultraviolet to visible light, efficient yellow emission can be observed. The emission spectrum shows an asymmetrical single intensive band centred at 573 nm, which corresponds to the 4f 6 5d 1 →4f 7 transition of Eu2+ . Eu2+ ions occupy two types of Ca2+ sites in the Ca2BO3 Cl lattice and form two corresponding emission centres, respectively, which lead to the asymmetrical emission of Eu2+ in Ca2 BO 3 Cl. The emission intensity of Eu2+ in Ca2BO3 Cl is influenced by the Eu2+ doping concentration. Concentration quenching is discovered, and its mechanism is verified to be a dipole–dipole interaction. The value of the critical transfer distance is calculated to be 2.166 nm, which is in good agreement with the 2.120 nm value derived from the experimental data.     

Ca₂BO₃Cl:Ce³⁺,Tb³⁺:A novel tunable emitting phosphor for white light-emitting diode

<正>Ca₂BO₃Cl:Ce³⁺,Ca₂BO₃Cl:Tb³⁺,and Ca₂BO₃Cl:Ce³⁺,Tb³⁺ phosphors are synthesized by a high temperature solid-state reaction.The emission intensity of Ce³⁺ or Tb³⁺ in Ca₂BO₃Cl is influenced by the Ce³⁺ or Tb³⁺ doping content,and the optimum concentrations of Ce³⁺ and Tb³⁺ are 0.03 mol and 0.05 mol,respectively.The concentration quenching effect of Ce³⁺ or Tb³⁺ in Ca₂BO₃Cl occurs,and the concentration quenching mechanism is d-d interaction for either Ce³⁺ or Tb³⁺.The Ca₂BO₃Cl:Ce³⁺,Tb³⁺ can produce colour emission from blue to green by properly tuning the relative ratio between Ce³⁺ and Tb³⁺,and the emission intensity of Tb³⁺ in Ca₂BO₃Cl can be enhanced by the energy transfer from Ce³⁺ to Tb³⁺.The results indicate that Ca₂BO₃Cl:Ce³⁺,Tb³⁺ may be a promising double emission phosphor for UV-based white light emitting diodes.     

Optical planar waveguides in Yb³⁺-doped phosphate glasses produced by He⁺ ion implantation

Optical planar waveguides in Yb 3+-doped phosphate glasses are fabricated by implanting triple-energy helium ions. The guiding modes and the near-field intensity distribution are measured by using the prism-coupling method and the end-face coupling setup with a He-Ne laser at 633 nm The intensity calculation method (ICM) is used to reconstruct the refractive index profile of the waveguide. The absorption and the fluorescence investigations reveal that the glass bulk features are well preserved in the active volumes of the waveguides, suggesting the fabricated structures for possible applications as waveguide lasers.     

Upconversion white-light emission in Ho³⁺/Yb³⁺/Tm³⁺ tridoped LiNbO₃ single crystal

Ho³⁺/Yb³⁺/Tm³⁺ tridoped LiNbO₃ single crystal exhibiting intense upconversion white light under 980?nm excitation has been successfully fabricated by the Czochralski method. The tridoped LiNbO₃ single crystal offers power dependent color tuning properties by simply changing excitation power. Efficient three-photon blue upconversion emission and two-photon green and red upconversion emissions have been observed. In addition, the red emission of Ho³⁺ originates dominantly from the nonradiative decay of green emission. The LiNbO₃ with upconversion white light will be a potential laser candidate material.     

First observation of the P-wave spin-singlet bottomonium states hb(1P) and hb(2P)

We report the first observations of the spin-singlet bottomonium states h(b)(1P) and h(b)(2P). The states are produced in the reaction e(+)e(-)→h(b)(nP)π(+)π(-) using a 121.4 fb(-1) data sample collected at energies near the Υ(5S) resonance with the Belle detector at the KEKB asymmetric-energy e(+)e(-) collider. We determine M[h(b)(1P)]=(9898.2(-1.0-1.1)(+1.1+1.0)) MeV/c(2) and M[h(b)(2P)]=(10,259.8±0.6(-1.0)(+1.4)) MeV/c(2), which correspond to P-wave hyperfine splittings ΔM(HF)=(+1.7±1.5) and (+0.5(-1.2)(+1.6)) MeV/c(2), respectively. The significances of the h(b)(1P) and h(b)(2P) are 5.5σ and 11.2σ, respectively. We find that the production of the h(b)(1P) and h(b)(2P) is not suppressed relative to the production of the Υ(1S), Υ(2S), and Υ(3S).     

水热法合成纳米晶NaYF4 : Er3+,Tm3+,Yb3+ 的上转换发光特性

以EDTA为络合剂,用水热法合成了Er³⁺,Tm³⁺和Yb³⁺共掺杂的NaYF₄纳米晶。XRD和TEM的结果表明:粒径约为30 nm,属于六方晶系。在980 nm半导体激光器激发下,研究了不同Er³⁺离子掺杂浓度对Tm³⁺和Er³⁺离子上转换发光性能的影响,光强与泵浦功率的双对数曲线表明,474,525,539,650 nm的发射均属于双光子过程,408 nm的发射属于三光子过程。讨论了样品的协作敏化和声子辅助共振能量传递的上转换发光机制。     

1<Superscript>+</Superscript>(0<Superscript>+</Superscript>) state at 12.4 MeV in <Superscript>20</Superscript>Ne

Careful review of all the evidence makes it clear that at least three states are important at 12.4-MeV excitation in ²⁰Ne (four, if the broad (2⁺) at 12.5 MeV is included). The three states are 3 ^- , 0 ⁺ , and 1 ⁺ (0⁺). The latter, which is quite strong in ¹⁹F (³He, d) singles, is probably the state observed in coincidence with 6.13-MeV γ-rays in ¹⁹F(³He, dγ). Received: 19 August 2002 / Accepted: 28 October 2002 / Published online: 17 January 2003 RID="a" ID="a"e-mail: fortune@physics.upenn.edu Communicated by D. Guerreau     

Spectroscopic properties in Er³⁺/Yb³⁺ Co-doped fluorophosphate glass

Using the technique of high-temperature melting, a new Er 3+ /Yb 3+ co-doped fluorophosphate glass was prepared. The absorption and fluorescence spectra were investigated in depth. The effect of Er 3+ and Yb 3+ concentration on the spectroscopic properties of the glass sample was also discussed. According to the Judd–Ofelt theory, the oscillator strength was computed. The lifetime of 4 I 13/2 level (τ m ) of Er 3+ ions was 8.23 ms, and the full width at half maximum of the dominating emission peak was 68 nm at 1.53 μm. The large stimulated emission cross section of the Er 3+ was calculated by the McCumber theory. The spectroscopic properties of Er 3+ ion were compared with those in different glasses. The full width at half maximum and σ e are larger than those of other glass hosts, indicating this studied glass may be a potentially useful candidate for high-gain erbium-doped fiber amplifier.     

Theoretical study of stereodynamics for the D'+DS(ν = 0,j = 0)→D'D+S abstraction reaction

Quasiclassical trajectory (QCT) calculations have been performed for the abstraction reaction, D' +DS(v = 0, j = 0)→D'D+S on a new LZHH potential energy surface (PES) of the adiabatic 3A' electronic state [Lü et al. 2012 J. Chem. Phys. 136 094308]. The collision energy effect on the integral cross section and product polarization are studied over a wide collision energy range from 0.1 to 2.0 eV. The cross sections calculated by the QCT procedure are in good accordance with previous quantum wave packet results. The three angular distribution functions, P(θ_r), P(φ_r), and P(θ_r,φ_r), together with the four commonly used polarization-dependent differential cross sections ((2π/σ)(ds₀₀/dω_t), (2π/σ)(ds₂₀/dω_t), (2π/σ)(ds₂₂₊/dω_t), (2π/σ)(ds_21-/dω_t)) are obtained to gain insight into the chemical stereodynamics of the title reaction. Influences of the collision energy on the product polarization are exhibited and discussed.     

Diode-pumped laser and self-frequency-doubling properties of a Nd³⁺:Na₃La₉O₃(BO₃)₈ crystal

We report efficient, diode-pumped, self-frequency doubling (SFD) in the newly developed laser crystal Nd³⁺:Na₃La₉O₃(BO₃)₈ (Nd:NLBO). More than 730?mW of fundamental output power at 1072?nm was achieved with a slope efficiency of 16.2%. With incident pump power of 8?W, 29?mW of green cw laser emission at 536?nm was observed with proper phase matching. This initial performance and the good optical properties of the crystalline host are encouraging for the development of a high power diode-pumped SFD visible light laser source.     

Kinetics and thermochemistry of the unusual [2π + 2σ + 2σ]‐cycloaddition of quadricyclane with some dienophiles

Kinetic parameters of the unusual [2π + 2σ + 2σ]‐cycloaddition reactions of quadricyclane ( 1 ) with tetracyanoethylene ( 2 ), 4‐phenyl‐1,2,4‐triazoline‐3,5‐dione ( 3 ), N‐phenylmaleimide ( 4 ), and diethyl azodicarboxylate ( 5 ) are determined experimentally. Additionally, the enthalpies of 1  +  2 reaction in 1,4‐dioxane solution (?236.6 ± 1.0 kJ mol^?1) and 1  +  3 reaction in toluene (?255.0 ± 2.8 kJ mol^?1) are determined calorimetrically and shown to be the largest in absolute magnitude among all known cycloaddition reactions involving these dienophiles. Solvent effect on the rate of 1 + 3 reaction in 11 solvents is studied and found to be moderate and similar to that of the conventional Diels‐Alder and ene reactions. The difference in the reaction rate constants of 1 with different dienophiles can be up to 9 orders of magnitude and is mainly caused by the difference in activation enthalpies. This difference is not correlated with the standard enthalpies of reactions and is likely the result of high sensitivity of the [2π + 2σ + 2σ] reaction rates to the energy of donor‐acceptor interactions between the reactants.     

Evolution of the 251 cm^-1 infrared phonon mode with temperature in Ba_0.6K_0.4Fe₂As₂

The far-infrared optical reflectivity of an optimally doped Ba1-xKxFe2As2(x =0.4) single crystal is measured from room temperature down to 4 K. We study the temperature dependence of the in-plane infrared-active phonon at 251 cm-1 . This phonon exhibits a symmetric line shape in the optical conductivity, suggesting that the coupling between the phonon and the electronic background is weak. Upon cooling down, the frequency of this phonon continuously increases, following the conventional temperature dependence expected in the absence of a structural or magnetic transition. The intensity of this phonon is temperature independent within the measurement accuracy. These observations indicate that the structural and magnetic phase transition might be completely suppressed by chemical doping in the optimally doped Ba0.6K0.4Fe2As2 compound.     

溅射气氛和退火方式对硅纳米晶的形成及发光特性的影响

利用磁控溅射技术溅射硅靶,通过调节溅射气氛在硅衬底上生长了SiO/SiO₂超晶格,热退火处理后超晶格中的SiO发生相分离得到硅纳米晶。通过比较不同退火方式对于硅纳米晶的形成的影响发现,管式炉退火处理的样品给出非常强的室温光致发光,其发光峰的峰位随着硅纳米晶尺寸的增大而红移,且管式炉退火比快速热退火更有利于硅纳米晶的形成。     

<Superscript>18</Superscript>Ne diproton decay

Two proton radioactivity studies have been performed on excited states of ¹⁸Ne produced, among other fragments, by ²⁰Ne projectile fragmentation and excited via Coulomb excitation on a Pb target. Every incoming ion was tagged before interacting with the lead target on an event by event basis in order to discriminate the secondary reactions according to the projectile. Decay of ¹⁸Ne levels has been studied by complete kinematical reconstruction. In spite of the low statistics a couple of events looks very promising for two proton correlated emission.     

10BaF₂:NaF,Na₃AlF₆/TiO₂ composite as a novel visible-light-driven photocatalyst based on upconversion emission

A rare-earth free upconversion luminescent material, 10BaF 2 :NaF, Na 3 AlF 6 , is synthesized by a hydrothermal method. The study of fluorescent spectrum indicates that it can convert visible light (550 nm–610 nm) into ultraviolet light (290 nm–350 nm), and two emission peaks at 304 nm and 324 nm are observed under the excitation of 583 nm at room temperature. Subsequently, 10BaF 2 :NaF, Na 3 AlF 6 /TiO 2 composite photocatalyst is prepared and its catalytic activity is evaluated by the photocatalytic reduction of CO 2 under visible light irradiation (λ > 515 nm). The results show that 10BaF 2 :NaF, Na 3 AlF 6 /TiO 2 is a more effective photocatalyst for CO 2 reduction than pure TiO 2 , their corresponding methanol yields are 179 and 0 μmol/g-cat under the same conditions. Additionally, the mechanism of photocatalytic reduction of CO 2 on 10BaF 2 :NaF, Na 3 AlF 6 /TiO 2 is proposed.     

Photonic generation of stable microwave signals from a dual-wavelength Al₂O₃:Yb³⁺ distributed-feedback waveguide laser

We report the fabrication and characterization of a dual-wavelength distributed-feedback channel waveguide laser in ytterbium-doped aluminum oxide. Operation of the device is based on the optical resonances that are induced by two local phase shifts in the distributed-feedback structure. A stable microwave signal at ～15 GHz with a -3?dB width of 9 kHz was subsequently created via the heterodyne photodetection of the two laser wavelengths. The long-term frequency stability of the microwave signal produced by the free-running laser is better than ±2.5 MHz, while the power of the microwave signal is stable within ±0.35 dB.     

The influence of interfacial barrier engineering on the resistance switching of In₂O₃:SnO₂/TiO₂/In₂O₃:SnO₂ device

The I–V characteristics of In2O3:SnO2/TiO2/In2O3:SnO2 junctions with different interfacial barriers are inves- tigated by comparing experiments. A two-step resistance switching process is found for samples with two interfacial barriers produced by specific thermal treatment on the interfaces. The nonsynchronous occurrence of conducting filament formation through the oxide bulk and the reduction in the interfacial barrier due to the migration of oxygen vacancies under the electric field is supposed to explain the two-step resistive switching process. The unique switching properties of the device, based on interfacial barrier engineering, could be exploited for novel applications in nonvolatile memory devices.