Atomic-scale insights of indium segregation and its suppression by GaAs insertion layer in InGaAs/AlGaAs multiple quantum wells

The In segregation and its suppression in InGaAs/AlGaAs quantum well are investigated by using high-resolution x-ray diffraction(XRD)and photoluminescence(PL),combined with the state-of-the-art aberration corrected scanning transmission electron microscopy(Cs-STEM)techniques.To facility our study,we grow two multiple quantum wells(MQWs)samples,which are almost identical except that in sample B a thin GaAs layer is inserted in each of the InGaAs well and AlGaAs barrier layer comparing to pristine InGaAs/AlGaAs MQWs(sample A).Our study indeed shows the direct evidences that In segregation occurs in the InGaAs/AlGaAs interface,and the effect of the Ga As insertion layer on suppressing the segregation of In atoms is also demonstrated on the atomic-scale.Therefore,the atomic-scale insights are provided to understand the segregation behavior of In atoms and to unravel the underlying mechanism of the effect of GaAs insertion layer on the improvement of crystallinity,interface roughness,and further an enhanced optical performance of InGaAs/AlGaAs QWs.

Mg/Fe site-specific dual-doping to boost the performance of cobalt-free nickle-rich layered oxide cathode for high-energy lithium-ion batteries

Layer-type LiNi0.9Mn0.1O2is promising to be the primary cathode material for lithium-ion batteries(LIBs)due to its excellent electrochemical performance.Unfortunately,the cathode with high nickel content suffers from severely detrimental structural transformation that causes rapid capacity attenuation.Herein,site-specific dual-doping with Fe and Mg ions is proposed to enhance the structural stability of LiNi0.9Mn0.1O2.The Fe3+dopants are inserted into transition metal sites(3b)and can favorably provide additional redox potential to compensate for charge and enhance the reversibility of anionic redox.The Mg ions are doped into the Li sites(3a)and serve as O_(2)^(-)-Mg^(2+)-O_(2)^(-)pillar to reinforce the electrostatic cohesion between the two adjacent transition-metal layers,which further suppress the cracking and the generation of harmful phase transitions,ultimately improving the cyclability.The theoretical calculations,including Bader charge and crystal orbital Hamilton populations(COHP)analyses,confirm that the doped Fe and Mg can form stable bonds with oxygen and the electrostatic repulsion of O_(2)^(-)-O_(2)^(-)can be effectively suppressed,which effectively mitigates oxygen anion loss at the high delithiation state.This dual-site doping strategy offers new avenues for understanding and regulating the crystalline oxygen redox and demonstrates significant potential for designing high-performance cobalt-free nickel-rich cathodes.

Unraveling the degradation mechanism of LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2) at the high cut-off voltage for lithium ion batteries

LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM811)layered oxides have been regarded as promising alternative cathodes for the next generation of high-energy lithium ion batteries(LIBs)due to high discharge capacities and energy densities at high operation voltage.However,the capacity fading under high operation voltage still restricts the practical application.Herein,the capacity degradation mechanism of NCM811 at atomic-scale is studied in detail under various cut-off voltages using aberration-corrected scanning transmission electron microscopy(STEM).It is observed that the crystal structure of NCM811 evolution from a layered structure to a rock-salt phase is directly accompanied by serious intergranular cracks under 4.9 V,which is distinguished from the generally accepted structure evolution of layered,disordered layered,defect rock salt and rock salt phases,also observed under 4.3 and 4.7 V.The electron energy loss spectroscopy analysis also confirms the reduction of Ni and Co from the surface to the bulk,not the previously reported only Li/Ni interlayer mixing.The degradation mechanism of NCM811 at a high cut-off voltage of4.9 V is attributed to the formation of intergranular cracks induced by defects,the direct formation of the rock salt phase,and the accompanied reduction of Ni^(2+)and Co^(2+)phases from the surface to the bulk.

Mass-analyzed Threshold Ionization Spectroscopy of Rotamers of p-ethoxyphenol Cations and Configuration Effect

二颜色的反响的二光子的分析团的阀值电离(MATI ) 光谱学被用来记录 p-ethoxyphenol 的选择 rotamers 的震动地解决的阳离子系列。trans 和 cis rotamers 的断热的电离精力决心是 61565 ?????

Ultraviolet laser ionization studies of 1-fluoronaphthalene clusters and density functional theory calculations

This paper studies supersonic jet-cooled 1-fluoronaphthalene （1FN） clusters by ultraviolet （UV） laser ionization at 281 nm in a time-of-flight mass spectrometer. The （1FN）＋ （n=1-3） series cluster ions are observed where the signal intensity decreases with increasing cluster size. The effects of sample inlet pressures and ionization laser fluxes to mass spectral distribution are measured. Using density functional theory calculations, it obtains a planar geometric structure of 1FN dimer which is combined through two hydrogen bonds. The mass spectra indicate that the intensity of 1FN trimer is much weaker than that of 1FN dimer and this feature is attributed to the fact that the dimer may form the first ＂shell＂ in geometric structure while the larger clusters are generated based on this fundamental unit.

Calculation of Vibrational Energy Spectra of H_(2)O Molecule by Nonlinear Quantum Theory

The vibrational energy spectra of OH stretch of H_(2)O in both vapour and liquid phases are calculated by using the quantized discrete self-trapping equation of nonlinear quantum theory.The results obtained are in good agreement with the experiment.Meanwhile,it is noted that the behaviour of the distribution of energy levels of high excited states obtained here is useful in optical spectrum research.

Research on the photoluminescence of spectral broadening by rapid thermal annealing on InAs/GaAs quantum dots

Photoluminescence (PL) test was conducted to investigate the effect of rapid thermal annealing (RTA) on the opticalperformance of self-assembled InAs/GaAs quantum dots (QDs) at the temperatures of 16 and 300 K. It was found that after RTAtreatment, the PL spectrum of the QDs sample had a large blue-shift and significantly broadened at 300 K. Compared with theas-grown InAs QDs sample, the PL spectral width has increased by 44.68 meV in the InAs QDs sample RTA-treated at800 ℃. The excitation power-dependent PL measurements showed that the broadening of the PL peaks of the RTA-treatedInAs QDs should be related to the emission of the ground state (GS) of different-sized InAs QDs, the InAs wetting layer (WL)and the In0.15Ga0.85As strain reduction layer (SRL) in the epitaxial InAs/GaAs layers.

Isotope Effect in Collision Between Helium Atom and Hydrogen Molecule

Rotationally inelastic He-H_(2),D_(2),T_(2) collision was studied quantum-mechanically.Converged cross sections were calculated by using the close coupling method for relative kinetic energies of 0.01 to 0.54 eV.Born-Oppenheimer approximation was employed to determine the potential surface of He-D_(2),He-T_(2),and He-H_(2).Careful comparison between the cross sections of the isotopically substituted systems was carried out,and the regular changes of the total cross sections of the isotopically substituted He-H_(2) colliding systems were obtained.

An Effective Method of Producing Small Neutral Carbon Clusters

An effective method of producing small neutral carbon dusters Cn （n = 1-6） is described. The small carbon dusters （positive or negative charge or neutral） are formed by plasma which are produced by a high power 532nm pulse laser ablating the surface of the metal Mn rod to react with small hydrocarbons supplied by a pulse valve, then the neutral carbon clusters are extracted and photo-ionized by another laser （266nm or 355nm） in the ionization region of a linear time-of-flight mass spectrometer. The distributions of the initial neutral carbon dusters are analysed with the ionic species appeared in mass spectra. It is observed that the yield of small carbon dusters with the present method is about 10 times than that of the traditional widely used technology of laser vaporization of graphite.

Transient Absorption of the Chlorophyll a in Ethanol

叶绿素的激动的状态一是由 femtosecond 调查了短暂吸收。Q 乐队和 B 叶绿素的 y 乐队一在里面乙醇被观察了。二个 ultrafast 部件也是的 which 展览测量了的叶绿素的快动力学。被分到不同类地拓宽的地面状态吸收光谱的短暂吸收，当其它由于极的溶剂分子的 solvation 动力学是到处于激动的状态的电子配置的变化的溶剂的反应时。理解叶绿素的 anisotropy 一在里面乙醇， anisotropy 侧面被 405 nm 刺激也执行并且发现 anisotropy 侧面是 0.143。 da , db 并且在 B y 乐队被模仿了。

Theoretical Study on Direction of Vibrational Transition Dipole Moment of XH Stretching Vibration in HXD

Experimental vibrational spectra of heavy light XH stretching vibrations of simple molecules have been analyzed using the local mode model.In addition,the bond dipole approach,which assumes that the transition dipole moment(TDM)of the XH stretching mode is aligned along the XH bond,has helped analyze experimental spectra.We performed theoretical calculations of the XH stretching vibrations of HOD,HND^−,HCD,HSD,HPD^−,and HSiD using local mode model and multi-dimensional normal modes.We found that consistent with previous notions,a localized 1D picture to treat the XH stretching vibration is valid even for analyzing the TDM tilt angle.In addition,while the TDM of the OH stretching fundamental transition tilted away from the OH bond in the direction away from the OD bond,that for the XH stretching fundamental of HSD,HND^−,HPD^−,HCD,and HSiD tilted away from the OH bond but toward the OD bond.This shows that bond dipole approximation may not be a good approximation for the present systems and that the heavy atom X can affect the transition dipole moment direction.The variation of the dipole moment was analyzed using the atoms-in-molecule method.

Low temperature photoluminescence study of Ga As defect states

Low temperature(77 K)photoluminescence measurements have been performed on different GaAs substrates to evaluate the GaAs crystal quality.Several defect-related luminescence peaks have been observed,including 1.452 eV,1.476 eV,1.326 eV peaks deriving from 78 meV GaAs antisite defects,and 1.372 eV,1.289 eV peaks resulting from As vacancy related defects.Changes in photoluminescence emission intensity and emission energy as a function of temperature and excitation power lead to the identification of the defect states.The luminescence mechanisms of the defect states were studied by photoluminescence spectroscopy and the growth quality of GaAs crystal was evaluated.

Low-energy electronic states of carbon nanocones in an electric field

The low-energy electronic states and energy gaps of carbon nanocones in an electric field are studied using a single-?-band tight-binding model. The analysis considers five perfect carbon nanocones with disclination angles of 60°, 120°, 180°, 240° and 300°, respectively. The numerical results reveal that the low-energy electronic states and energy gaps of a carbon nanocones are highly sensitive to its geometric shape(i.e. the disclination angle and height), and to the direction and magnitude of an electric field. The electric field causes a strong modulation of the state energies and energy gaps of the nanocones, changes their Fermi levels, and induces zero-gap transitions. The energy-gap modulation effect becomes particularly pronounced at higher strength of the applied electric field, and is strongly related to the geometric structure of the nanocone.

Calculation of the Matrix Elements of ^(12)C for the 15.1MeV Level

We present here the result of the calculation on the ratio of|<1^(+)||T_(1)^(mag)||0^(+)>1/q|^(2)/|<1^(+)||T_(1)^(mag)||0^(+)>1/q|_(q)^(2)=0 for the 15.1 MeV level in^(12)C.We use the wave function corresponding to the nucleons moving in a common harmonic potential plus a hard core.

Facile preparation of hierarchical Ni@Mn-doped NiO hybrids for efficient and durable oxygen evolution reaction

Exploring highly efficient and non-noble-metal-based electrocatalysts for oxygen evolution reaction(OER)is of great importance not only for water splitting but also for rechargeable metal-air batteries and fuel cells.Herein,we describe a simple strategy to prepare hierarchical Ni@Mn-doped Ni O hybrids using flower-like Ni-Mn layered double hydroxides(Ni Mn-LDHs)as a precursor.After calcination at 400℃for an hour under N_(2)atmosphere,the flower-like Ni Mn-LDHs transform to porous microspheres consisting of nanoparticles,in which Ni cores are encapsulated by Mn-doped NiO shells(denoted as Ni@MnNi O-400).Benefiting to this unique porous,core-shell structures and element doping,the as-prepared Ni@Mn-NiO-400 hybrid shows a low overpotential of 178 mV at the current density of 10 mA/cm^(2)and Tafel slope of 52.7 m V/dec in 1 mol/L KOH solution.More significantly,the Ni@Mn-Ni O-400 hybrid also demonstrates superior stability of 98.6%after 50 h continuously testing,much higher than pristine Ni MnLDHs and commercial IrO_(2)catalyst.In addition,theoretical simulation shows that Ni core and Mn doping greatly affect the electronic states and electronic structure of Ni O.As a result,Ni@Mn-doped Ni O hybrid possesses an optimal adsorption activity towards oxygen species than Ni O and undoped Ni@Ni O hybrid.Considering the compositional and structural flexibility of LDHs,this work may offer a simple method to prepare other non-noble metal-based electrocatalysts for OER.

Steric Effects in the Cl＋CHD3（v1=1） Reaction

最近的研究揭示了完整的 3dimentional 反应 C1+CHD3 (v1=1 ) 的反应散布图画当 Cl 原子从对拉长的 CH 各自的各种各样的方向攻击 CHD3，结合。报导 polarizationdependent 微分生气的节提供对反应的试剂排列的影响的最详细的描述。传送对一般化学家更可存取的 stereospecific 信息，我们这里出现由合适的对称考虑，怎么从大小检索相对积分和二很普通的碰撞几何学的微分生气的节：在端点对 sideon 攻击。结果，虽然 coarsegrained，提供不仅关于化学反应增强我们的直觉，而且打开更多的灯在上的一幅呼吁的图画常规(unpolarized ) 属性。

Waveguide external cavity narrow linewidth semiconductor lasers

Narrow linewidth light source is a prerequisite for high-performance coherent optical communication and sensing.Waveguide-based external cavity narrow linewidth semiconductor lasers(WEC-NLSLs)have become a competitive and attractive candidate for many coherent applications due to their small size,volume,low energy consumption,low cost and the ability to integrate with other optical components.In this paper,we present an overview of WEC-NLSLs from their required technologies to the state-of-the-art progress.Moreover,we highlight the common problems occurring to current WEC-NLSLs and show the possible approaches to resolving the issues.Finally,we present the possible development directions for the next phase and hope this review will be beneficial to the advancements of WEC-NLSLs.

Sulfur-deficient CoNi_(2)S_(4)nanoparticles-anchored porous carbon nanofibers as bifunctional electrocatalyst for overall water splitting

Water electrolysis technology is considered to be one of the most promising means to produce hydrogen.Herein,aiming at the problems of high overpotential and slow kinetics in water splitting,N-doped porous carbon nanofibers-coupled CoNi_(2)S_(4)nanoparticles are prepared as bifunctional electrocatalyst.In the strategy,NaCl is used as the template to prepare porous carbon nanofibers with a large surface area,and sulfur vacancies are created to modulate the electronic structure of CoNi_(2)S_(4).Electron spin resonance confirms the formation of abundant sulfur vacancies,which largely reduce the bandgap of CoNi_(2)S_(4)from 1.68 to 0.52 eV.The narrowed bandgap is conducive to the migration of valence electrons and decreases the charge transfer resistance for electrocatalytic reaction.Moreover,the uniform distribution of CoNi_(2)S_(4)nanoparticles on carbon nanofibers can prevent the aggregation and facilitate the exposure of electrochemical active sites.Therefore,the composite catalyst exhibits low overpotentials of 340 mV@100 mA·cm^(-2)for oxygen evolution reaction and 380 mV@100 mA·cm^(-2)for hydrogen evolution reaction.The assembled electrolyzer requires 1.64 V to achieve 10 mA·cm^(-2)for overall water-splitting with good long-term stability.The excellent performance results from the synergistic effect of porous structures,sulfur deficiency,nitrogen doping,and the well-dispersed active component.