Theoretical study on the mechanism for the excited-state double proton transfer process of an asymmetric Schiff base ligand

Excited-state double proton transfer (ESDPT) in the 1-[(2-hydroxy-3-methoxy-benzylidene)-hydrazonomethyl]-naphthalen-2-ol (HYDRAVH₂) ligand was studied by the density functional theory and time-dependent density functional theory method. The analysis of frontier molecular orbitals, infrared spectra, and non-covalent interactions have cross-validated that the asymmetric structure has an influence on the proton transfer, which makes the proton transfer ability of the two hydrogen protons different. The potential energy surfaces in both S₀ and S₁ states were scanned with varying O-H bond lengths. The results of potential energy surface analysis adequately proved that the HYDRAVH₂ can undergo the ESDPT process in the S₁ state and the double proton transfer process is a stepwise proton transfer mechanism. Our work can pave the way towards the design and synthesis of new molecules.     

机械力固相法制备纳米α-FeOOH及其光催化性能研究

采用机械力固相法以FeCl3和Fe(NO3)3分别作为铁源.在铁源与碱1∶5摩尔比的条件下,先球磨3h,再经过60℃水浴陈化得到纳米针铁矿(α-FeOOH).用X-射线衍射仪(XRD)、场发射扫描电子显微镜(FE-SEM)、比表面和孔隙度分析仪(BET)、紫外-可见分光光度计以及电化学工作站对其物相、微观形貌、比表面、光催化和光电化学性能进行表征.结果 表明:不同铁源的阴离子会诱导合成形貌和性能差异的纳米针铁矿,以FeCl3为原料合成的纳米α-FeOOH粒径较小、比表面积及孔容较大、对有机染料罗丹明B的降解率较以Fe(NO3)3为原料的α-FeOOH提高了48.7;.     

Towards the meV limit of the effective neutrino mass in neutrinoless double-beta decays

We emphasize that it is extremely important for future neutrinoless double-beta(0νββ)decay experiments to reach the sensitivity to the effective neutrino mass|mββ|≈1 meV.With such a sensitivity,it is highly possible to discover the signals of 0νββ decays.If no signal is observed at this sensitivity level,then either neutrinos are Dirac particles or stringent constraints can be placed on their Majorana masses.In this paper,assuming the sensitivity of|mββ|≈1 meV for future 0νββ decay experiments and the precisions on neutrion oscillation parameters after the JUNO experiment,we fully explore the constrained regions of the lightest neutrino mass m1 and two Majorana-type CP-violating phases{ρ,σ}.Several important conclusions in the case of normal neutrino mass ordering can be made.First,the lightest neutrino mass is severely constrained to a narrow range m1∈[0.7,8]meV,which together with the precision measurements of neutrino mass-squared differences from oscillation experiments completely determines the neutrino mass spectrum m2∈[8.6,11.7]meV ing phases is limited to ρ∈[130°,230°],which cannot be obtained from any other realistic experiments.Third,the sum of three neutrino masses is found to beΣ≡m1+m2+m3∈[59.2,72.6]meV,while the effective neutrino mass for beta decays turns out to be mβ≡(|Ue1|2m1^2+|Ue2|2m2^2+|Ue3|2m3^2)1/2∈[8.9,12.6]meV.These observations clearly set up the roadmap for future non-oscillation neutrino experiments aiming to solve the fundamental problems in neutrino physics.     

一种一体化热防护承力结构的设计研究

采用ITPS(Integrated Thermal Protection Systems)承力结构的方法,开发了基于PATRAN PCL语言的参数化建模程序,能够自动、快速地建立该类型结构的有限元模型。通过改变腹板与底面板之间的夹角,得到了ITPS最佳热短路模型。通过数值分析研究了镂空腹板对ITPS承载能力及隔热性能的影响。结果表明,腹板与底面板夹角76°时,ITPS静力分析的最大等效应力达到极小值,镂空腹板高度和倒角半径的综合设计关系到ITPS优化设计的成败。在镂空腹板宽度和高度相同的情况下,应该优选倒角半径大的镂空腹板结构形式。同时,镂空腹板改善了ITPS底面板的温度均匀性。镂空腹板的数值分析结果为ITPS结构优化设计提供一定的参考和依据。     

单脉冲时间精确可控的单纵模Nd:YAG激光器

报道了一种单脉冲输出时间精确可控的单纵模Nd:YAG激光器.该激光器谐振腔采用自滤波非稳腔结构得到TEM_(00)模,利用磷酸钛氧铷电光晶体作为相位调制器来扫描腔长,通过种子注入的扫描-保持-触发技术锁定腔模,得到稳定的单脉冲输出时间精确可控的单纵模输出.该1064 nm激光器输出脉冲能量为50 mJ,脉冲建立时间48 ns,单脉冲输出时间抖动小于1%.用波长计WS7测量脉冲的波长和线宽,测量结果显示,波长计干涉仪干涉条纹清晰光滑,是典型的多光束干涉波形,显示波长为1064.40416 nm,线宽0.5 pm (波长计的极限分辨率).同时以0.1 Hz的工作频率连续记录了1700发脉冲的波长,波长抖动小于0.1 pm (峰峰值).     

一种低温接收机噪声分时注入的方法

提出一种低温接收机噪声分时注入方法,可以在线对接收机系统进行标定。可以有效地解决大气变化、地表噪声、链路增益变化等对系统定标照成的影响。该方案已应用在国内多台射电望远镜项目中,并获得较理想的效果。     

原位合成Bi3O4Br/Bi12O17Br2光催化剂及其对磺胺甲噁唑降解性能

Bi_xO_yBr_z光催化剂在有机药物废水处理领域有着非常广阔的潜在应用价值,但因光生电子和空穴的快速复合而表现出较低的光催化效率,进而限制了其应用范围。通过简易的水解-焙烧法原位制得一种新型的Bi₃O₄Br/Bi₁₂O₁₇Br₂复合光催化剂,并以磺胺甲噁唑(SMX)为模拟药物污染物进行了光催化性能测试,对所制催化剂进行了X射线衍射(XRD)、X射线光电子能谱(XPS)、扫描电子显微镜(SEM)、紫外可见漫反射光谱(UV-Vis DRS)、电化学阻抗(EIS)、光致发光光谱(PL)等表征。结果表明所制备的Bi₃O₄Br/Bi₁₂O₁₇Br₂复合光催化剂具有较强的光生载流子分离率、较低的界面电荷转移电阻,进而展示出优异的光催化降解SMX性能,在模拟太阳光下照射30 min,SMX降解率达到87%,相较于纯的Bi₃O₄Br和Bi₁₂O₁₇Br₂催化剂,降解率分别提升了30%和24%。最后基于自由基捕获实验和催化剂能带结构分析了所制催化剂的降解机理。     

由Campanato型函数和与薛定谔算子相关的Riesz变换生成的Toeplitz算子的有界性

本文研究了由Campanato型函数及与Schrödinger算子相关的Riesz变换生成的Toeplitz算子的有界性.利用Sharp极大函数估计得到了Toeplitz算子Θ^b在Lebesgue空间的有界性,拓广了已有交换子的结果.     

胜利断块油藏细分注水技术界限研究

老油田进入特高含水期后,剩余油分布更加零散,各种地质因素也因长期注水开发而发生了一定的改变.此时稳油控水难度进一步加大,为了进一步挖掘剩余油,控制含水上升速度、减缓产量递减,必须对注水井采取进一步的细分调整.基于水湿油藏注水井注水层段吸水效果,从注入水受力分析入手,运用达西定律推导出了水驱油藏水驱油全过程中的单位体积注入水沿竖直、地层两个方向运移的渗流速度公式,明晰了水驱油藏注水层段不同开发阶段砂岩吸水机理.研究结果表明,水驱油藏细分注水效果与岩石绝对渗透率、水相相对渗透率、注入水黏度、水动力压力梯度、注水井启动压力梯度、含水饱和度、地层倾角、油水密度差等参数有关.结合胜利油田断块油藏地质特征及细分注水工艺要求,制定了一套适合胜利油田不同断块区的细分注水技术政策界限:层段内渗透率变异系数小于0.3,砂岩条带宽度极比小于2.5,且东辛油区断块油藏层段内砂岩厚度小于6m,小层数小于4个;现河油区断块油藏层段内砂岩厚度小于5m,小层数小于5个;临盘油区断块油藏层段内砂岩厚度小于6m,小层数小于6个.矿场试验证实,该细分注水技术政策界限是合理、实用的,其为胜利断块油藏注上水、注够水、注好水,实现多层断块油藏的高效开发提供了技术保障,对类似油藏细分注水技术界限研究具有一定的借鉴意义.