An improved evaluation of the neutron background in the PandaX-Ⅱ experiment

In dark matter direct detection experiments,neutron is a serious source of background,which can mimic the dark matter-nucleus scattering signals.In this paper,we present an improved evaluation of the neutron background in the PandaX-II dark matter experiment by a novel approach.Instead of fully relying on the Monte Carlo simulation,the overall neutron background is determined from the neutron-induced high energy signals in the data.In addition,the probability of producing a dark-matter-like background per neutron is evaluated with a complete Monte Carlo generator,where the correlated emission of neutron(s)andγ(s)in the(α,n)reactions and spontaneous fissions is taken into consideration.With this method,the neutron backgrounds in the Run 9(26-ton-day)and Run 10(28-ton-day)data sets of PandaX-II are estimated to be(0.66±0.24)and(0.47±0.25)events,respectively.     

High sensitivity conductivity-temperature-depth sensing based on an optical microfiber coupler combined fiber loop

In order to meet the practical needs of all-fiber conductivity-temperature-depth sensors with high sensitivity,compact structure,and easy packaging,this Letter uses a microfiber coupler combined with fiber loop(MCFL)reflective photonic device to conduct salinity,temperature,and deep sensing experiments.These MCFLs’dynamic range and resolution of salinity,temperature,and depth can meet the requirements of actual marine environment monitoring.This structure opens up a new design idea for the practical research of microfiber coupler-based marine environmental parameter sensors.     

Enhancing hydrogen evolution of MoS2 basal planes by combining single-boron catalyst and compressive strain

MoS₂ is a promising candidate for hydrogen evolution reaction (HER), while its active sites are mainly distributed on the edge sites rather than the basal plane sites. Herein, a strategy to overcome the inertness of the MoS₂ basal surface and achieve high HER activity by combining single-boron catalyst and compressive strain was reported through density functional theory (DFT) computations. The ab initio molecular dynamics (AIMD) simulation on B@MoS₂ suggests high thermodynamic and kinetic stability. We found that the rather strong adsorption of hydrogen by B@MoS₂ can be alleviated by stress engineering. The optimal stress of −7% can achieve a nearly zero value of ΔG_H (~ −0.084 eV), which is close to that of the ideal Pt–SACs for HER. The novel HER activity is attributed to (i) the B– doping brings the active site to the basal plane of MoS₂ and reduces the band-gap, thereby increasing the conductivity; (ii) the compressive stress regulates the number of charge transfer between (H)–(B)–(MoS₂), weakening the adsorption energy of hydrogen on B@MoS₂. Moreover, we constructed a SiN/B@MoS₂ heterojunction, which introduces an 8.6% compressive stress for B@MoS₂ and yields an ideal ΔGH. This work provides an effective means to achieve high intrinsic HER activity for MoS₂.     

悬臂梁中开闭裂纹的损伤识别

利用裂纹诱导弦挠度函数,建立了悬臂Euler-Bernoulli中开闭裂纹位置、深度、初始张开角等损伤参数的识别方法.为此,首先将梁中开闭裂纹等效为单向扭转弹簧,给出了考虑裂纹缝隙效应的裂纹梁等效抗弯刚度,并得到悬臂Euler-Bernoulli开闭裂纹梁弯曲挠度的显式闭合解及裂纹诱导弦挠度函数,证明了裂纹诱导弦挠度的...     

HIT太阳电池衬底形貌修饰及其应用研究

在HIT太阳电池非晶硅沉积过程中,单晶硅衬底的绒面金字塔沟壑处易发生外延生长,影响电池输出性能.采用碱性体系(NaClO溶液)对硅片进行绒面形貌修饰,在NaOH的各向异性刻蚀和NaClO的氧化作用下,金字塔结构由尖锐的四面体向较圆滑的“锥形”转变,尤其金字塔底部变得平滑.随着形貌修饰时间的增加,样品表面平均反射率呈线性增大,从未修饰样品的12.48;升高至13.79;,钝化后硅片少子寿命显著提升,绒面形貌修饰有效改善了界面钝化质量,中长波外量子效率提升,从而实现电池电性能的提升.样品绒面形貌修饰45 min后,开路电压从656.3 mV升高至699.8 mV,转换效率提高1.8;.此外,研究了反应温度对表面形貌修饰及HIT太阳电池性能的影响,基于70℃、10; NaClO溶液、45 min的绒面修饰条件下制备的HIT太阳电池转换效率达到最高,为12.02;.     

人类A3腺苷受体拮抗剂1,2,4-三唑并[1,5-α]喹喔啉衍生物的QSAR研究

采用遗传算法构建了27种人类腺苷受体拮抗剂1,2,4-三唑并[1,5-α]喹喔啉衍生物与受体之间的亲和性的QSAR模型.为得到理想模型,计算了拓扑学、热力学、空间、电子拓扑状态和量子化学描述符.结合这些参数得到最终模型:ENpKi=13.407-0.027*FC-8-0.033*FC-8 0.845*Atype_C_28-19.493*Shadow_XYfrac.计算得到的统计学指标为:LOF=0.291,r2=0.766,ra2dj=0.723,F-test=17.974,PRESS=3.469,CV-r2=0.791.通过对模型进行分析,得到如下结论:降低C-8位亲电、亲核原子的前线电子密度的权重和分子在XY平面的投影分数,增加疏水性原子类型描述符Atpye_C_28的值,都对增加化合物分子与受体的亲和性有利.利用此模型合理的设计了两个新的化合物,并预测具有较高的结合活性.该研究为喹喔啉衍生物作为人类A3腺苷受体拮抗剂的结构改造提供理论指导,并为进一步研究受体与配体亲和性机理奠定理论基础.     

Efficient conversion of fructose to 5-hydroxymethylfurfural over sulfated porous carbon catalyst

Sulfated porous carbon (PC-SO3H) catalyst was successfully synthesized from one-pot treatment of porous polydivinylbenzene in H2SO4 at 250 C, which exhibited very good catalytic performances in the production of 5-hydroxymethylfurfural from fructose.     

一种多吡啶双核单功能铂配合物的合成、晶体结构及抗癌活性

合成了一种含有多吡啶基配体2,6-双((双(吡啶-2-基甲基)氨基)甲基)吡啶(BPA-TPA)的双核单功能铂(Ⅱ)配合物[Pt₂(BPA-TPA)Cl₂]Cl₂(Pt₂-BPA-TPA),以核磁共振波谱和高分辨质谱进行表征,并通过X射线单晶衍射确定了Pt₂-BPA-TPA的结构。琼脂凝胶电泳实验表明 Pt₂-BPA-TPA 在 10 μmol·L-1的低浓度下可有效切割 pBR322 DNA。通过 CCK-8(cell counting kit-8)实验检测了Pt₂-BPA-TPA 对人肺癌细胞系A549的细胞毒性,结果显示Pt₂-BPA-TPA 表现出比顺铂更好的抗癌活性,其主要通过触发DNA损伤和上调下游凋亡相关细胞信号通路蛋白(p21蛋白和cleaved-caspase-3)诱导细胞凋亡。     

A New Sandwiched-type Polyoxotungstate Containing {Cd4} Transition-metal Cluster： Synthesis,Structure and Luminescent Property

A new sandwiched polyoxometalate [HK11Cd4Cl2（PW9034）2]·18H2O （1）, incor- porating a unique hybrid tetranuclear cadmium cluster （abbreviated to {Cd4}） with two trivacant polyanions [B-α-PW9O34]9-, has been hydrothermally synthesized and structurally characterized by elemental analyses, IR spectroscopy, UV-vis, and single-crystal X-ray diffraction analysis. Crystal data for 1： monoclinic, space group C2/c, a = 19.2997（4）, b = 13.8014（3）, c = 31.9819（8） A, β = 102.764（2）°, V= 8308.3（3） A3, Z = 4, P2O86Cl2K11Cd4W18H37, Mr = 5735.13, Dc = 4.584 mg-mm-3, F（000） = 10084, μ = 26.579 mm-1, the final R = 0.0378 and wR = 0.0989 for 6558 observed reflections （I〉 2σ（I））. X-ray crystallographic study shows that the molecular structure of 1 contains four cadmium atoms. Two CdO6 distorted octahedra and two CdOsC1 distorted octahedra combine with each other in turn via edge-sharing, resulting in a regular rhomb-like cluster sandwiched between two {B-a-PW9034} units. Further, the sandwich-type polyoxoanions were connected by K＋ ions to form a complicated 3-D open-framework through connecting with each terminal O atom of the [Cd4C12（PW9O34）2]12- polyoxoanions. In addition, compound 1 exhibits photoluminescence property at room temperature and the band gap can be assessed at 3.25 eV.