Synthesis of yolk-shell Bi2O3@TiO2 submicrospheres with enhanced potassium storage

Science China Chemistry - Due to their enormous potential for large-scale energy storage, rechargeable potassium-ion batteries have been widely researched and developed. However, the drastic volume...     

Recommendation in evolving online networks

Recommender system is an effective tool to find the most relevant information for onlineusers. By analyzing the historical selection records of users, recommender system predictsthe most likely future links in the user-item network and accordingly constructs apersonalized recommendation list for each user. So far, the recommendation process ismostly investigated in static user-item networks. In this paper, we propose a model whichallows us to examine the performance of the state-of-the-art recommendation algorithms inevolving networks. We find that the recommendation accuracy in general decreases with timeif the evolution of the online network fully depends on the recommendation. Interestingly,some randomness in users’ choice can significantly improve the long-term accuracy of therecommendation algorithm. When a hybrid recommendation algorithm is applied, we find thatthe optimal parameter gradually shifts towards the diversity-favoring recommendationalgorithm, indicating that recommendation diversity is essential to keep a high long-termrecommendation accuracy. Finally, we confirm our conclusions by studying therecommendation on networks with the real evolution data.     

Crystal Structure and Photoluminescence of a New Cadmium Complex with 6,7-Dicyanodipyridoquinoxalin

The reaction of CdCl2 with 6,7-dicyanodipyridoquinoxaline (DICNQ) by solvothermal reaction gives rise to a coordination polymer [CdCl2(DICNQ)]n 1. Single-crystal X-ray diffraction analysis reveals that the compound in space group Pbcn creates 1-D chloro-bridging chains. Crystal data for 1: a = 6.756(1), b = 35.371(6), c = 7.027(1) , V = 1679.1(5) 3, Z = 4.00, C16H6CdCl2N6, Mr = 465.57, Dc = 1.842 g/cm3, μ = 1.630 mm-1, F(000) = 904, S = 1.005 and T = 293(2) K. The final R = 0.0376 and wR = 0.1029 for 1291 observed reflections with I > 2σ(I), and R = 0.0499 and wR = 0.1125 for all data. The 1-D chloro-bridging chains are parallel-stacked in the a and b directions, and further stabilized through π-stacking interactions, hydrogen-bonding interactions and C≡N···π interactions to generate a 3-D structure. Compound 1 displays intense bluish-green photoluminescence from the intraligand charge-transfer of the DICNQ ligand and the Cl--to-DICNQ charge-transfer mechanism which is probed by the density of states (DOS) calculations.     

Bohmian mechanics to high-order harmonic generation

This paper introduces Bohmian mechanics (BM) into the intense laser-atom physics to study high-order harmonic generation. In BM, the trajectories of atomic electron in an intense laser field can be obtained with the Bohm--Newton equation. The power spectrum with the trajectory of an atomic electron is calculated, which is found to be irregular. Next, the power spectrum associated with an atom ensemble from BM is considered, where the power spectrum becomes regular and consistent with that from quantum mechanics. Finally, the reason of the generation of the irregular spectrum is discussed.     

Production and guidance of pulsed atomic beams on chip

We demonstrated two experimental methods of producing and guiding pulsed atomic beams on chip. One is to trap atoms first in a U-type magneto-optical trap on the chip, then transfer them to the magnetic guide field and push them simultaneously by a continuous force from the power imbalance of the magneto-optical trap laser beams hence the pulsed cold atom beams are produced and move along the magnetic guide to the destination. The other is to trap atoms directly by a H-type magneto-optical trap, then push them to make them move along the magnetic guide field, thus high rate cold atom beams can be produced and guided on the chip.     

基于气体放电等离子体射流源的模拟离子引出实验平台物理特性

离子引出过程是原子蒸气激光同位素分离中非常重要的物理过程之一,而其中关键的等离子体参数(等离子体初始密度和电子温度等)均会对离子引出特性产生影响.基于千赫兹电源驱动的氩气高压交流放电等离子体射流源,建立了离子引出模拟实验平台-2015 (IEX-2015),开发了用于诊断氩等离子体参数的"碰撞-辐射"模型,对等离子体射流区的电子温度和电子数密度等关键参数进行了测量.结果表明,电源输入功率和驱动频率以及工作气体流量均会对等离子体射流区的电子温度和数密度产生影响;在真空腔压强为10~(-2)Pa量级下,射流区电子数密度和电子温度的可调参数范围分别为10~9—10~(11)cm~(-3)和1.7—2.8 e V,这与实际离子引出过程中的等离子体参数范围相近.在此基础上,开展了不同引出电压、极板间距和电子数密度条件下初步的离子引出实验,所得到的离子引出电流变化规律亦与实际原子蒸气激光同位素分离中的离子引出特性定性一致.上述研究结果验证了在IEX-2015上开展离子引出模拟实验的可行性,为后续深入开展离子引出特性的实验研究准备了良好的条件.     

中性原子量子计算研究进展

相互作用可控、相干时间较长的中性单原子体系具备在1 mm2的面积上提供成千上万个量子比特的规模化集成的优势,是进行量子模拟、实现量子计算的有力候选者.近几年中性单原子体系在实验上取得了快速的发展,完成了包括50个单原子的确定性装载、二维和三维阵列中单个原子的寻址和操控、量子比特相干时间的延长、基于里德伯态的两比特量子门的实现和原子态的高效读出等,这些工作极大地推动了该体系在量子模拟和量子计算方面的应用.本文综述了该体系在量子计算方面的研究进展,并介绍了我们在其中所做的两个贡献:一是实现了"魔幻强度光阱",克服了光阱中原子退相干的首要因素,将原子相干时间提高了百倍,使得相干时间与比特操作时间的比值高达105;二是利用异核原子共振频率的差异建立了低串扰的异核单原子体系,并利用里德伯阻塞效应首次实现了异核两原子的量子受控非门和量子纠缠,将量子计算的实验研究拓展至异核领域.最后,分析了中性单原子体系在量子模拟和量子计算方面进一步发展面临的挑战与瓶颈.     

Enhanced Quantum Reflection of Ultracold Atoms with Strong Interatomic Interaction

We calculate the reflection probability for ultracold alkali atoms incident on a solid surface. By considering the interatomic interaction and using the WKB method, it is shown that the repulsive interaction between atoms has the effect of increasing the reflection probability. The increasing amplitude is related with the interatomic interaction and the depth of atom-surface potential. In addition, we also perform a numerical calculation to testify the effect of the interatomic interaction, and the analytic result is proven by the numerical result.     

Tight—binding calculation of the electronic states of bulk—terminated GaAs（311）A and B surfaces

We have carried out theoretical investigations on the electronic structure of GaAs(311)A and GaAs(311)B surfaces. The bulk electronic structure of GaAs has been described by the second-neighbour tight-binding formalism and the surface electronic structure was evaluated via an analytic Green function method. First, we present the surface band structure together with the projected bulk band of both Ga-terminated and As-terminated for GaAs(311)A and GaAs(311)B surfaces, respectively. In each case, the number of surface states is determined, and the localized surface features and orbital properties of these surface states along Γ-Y-S-X-Γ high symmetry lines of the surface Brillouin zone are discussed. For the Ga-terminated GaAs(311)A (1×1) surface, we have tested two possible structure models, i.e. "the bridge site" and "the hollow site" models. In comparison with the angle-resolved photoelectron spectroscopy studied recently, the results have shown that the surface electronic states of the hollow site model are in good agreement with the experiments, whereas those of the bridge site model are not. So we have concluded that the hollow site model is favourable for the Ga-terminated GaAs(311) (1×1) surface and the bridge site model should be excluded.     

Electronic structures and ferroelectric properties of ABi2Ta2O9 (A=Ca, Sr, and Ba)

The electronic structures of ABi₂Ta₂O₉ (A=Ca, Sr, and Ba) were calculated by using first-principles under optimized structure. As the size of A-site cation decreases from that of Ba²⁺ to Ca²⁺, the band-gap between O 2p and Ta 5d increases from 2.0 to 2.9 eV, which responses to the stronger orbital hybridizations between Ta 5d and O 2p orbits favoring improvement of the ferroelectric property, decrease in leakage current, and increase in both spontaneous polarization and Curie temperature by the structural distortion. In contrast to CaBi₂Ta₂O₉ and SrBi₂Ta₂O₉, the hybridization between Ba 5p orbits and O 2p orbits in BaBi₂Ta₂O₉ has better structural stability.