离子液体中聚(3-溴噻吩)的电化学合成和电色效应研究

以1-丁基-3-甲基咪唑六氟磷酸盐离子液体[BMIM]PF₆既作为溶剂又作为支持电介质, 通过恒电流、循环伏安等方法制备聚(3-溴噻吩)(PBrT)膜. 采用红外光谱(FT-IR)和扫描电子显微镜(SEM)对PBrT膜的结构和形貌进行表征, 用热重和差热分析法(TG-DTA)研究聚合膜的热稳定性, 并利用紫外-可见光谱(UV-Vis)、计时电流和计时吸收曲线研究该聚合膜电化学和电致变色的特性. 研究结果表明, 与传统方法比较, 在离子液体[BMIM]PF₆中制备的PBrT膜更致密、光滑, 具有良好的氧化还原可逆性和充放电能力, 电活性高, 热稳定性好. 以该方法制备的PBrT膜颜色变化明显, 响应时间快(0.5 s), 同时由于离子液体具有电位窗宽、导电率高、可循环利用等优点, 因此在电化学聚合等方面具有良好的应用前景.     

ZnSe纳米片晶的可控合成

以乙二胺四乙酸(EDTA)为稳定剂、丁胺(BA)为结构导向模板, 采用水热合成方法制备了尺寸和晶型可控的ZnSe纳米片晶; 利用XRD, TEM, SEM以及紫外-可见漫反射等手段对所得的产物进了表征, 结果表明, 通过改变水热温度和BA用量, 可以实现ZnSe纳米片晶的大小和物相的调控, 并初步分析了其形成过程.     

基于同步辐射原位CT的水牛角结构性能关系研究

为探究水牛角的结构性能关系,基于上海同步辐射光源搭建了高分辨原位CT系统,对水牛角角鞘进行初始表征和准静态压缩下的实时表征,并通过Top-Hat方法提取了角鞘内孔洞三维形貌.结果显示,水牛角角鞘孔隙率在1％左右,椭圆柱状孔洞沿牛角生长方向排列成线,首尾相连却并未连通,均匀分布在波浪状片层之间.孔洞特征椭球的轴长分布满足...     

Lamb波频域逆散射全聚焦成像方法研究

Lamb波因其传播距离远、衰减小常被用于板状结构的无损检测中,在基于Lamb波损伤检测的诸多成像技术中,全聚焦方法(Total Focus Method,TFM)方法因其成像分辨率高、信噪比高而受青睐.然而Lamb波的频散效应导致时域延时量不能被准确计算,进而影响传统TFM方法对损伤定位及成像的精度;此外,既有的TFM...     

Synthesis and Crystal Structure of a New Mononuclear Nickel(Ⅱ) Mixed Complex Derived from 2-Aminoethyl-bi(3-bi-aminopropyl)amine with 1,10-Phenanthroline

The mixed complex [Ni(L)(L')](ClO4)2 has been synthesized using 2-aminoethyl- bi(3-bi-aminopropyl)amine with phen (1,10-phenanthroline) in the presence of Ni(II) ion, and its structure was determined by X-ray diffraction. The crystal crystallizes in monoclinic, space group P21/c with a = 13.713(2), b = 13.1466(19), c = 14.780(2) (A), β = 97.620(3)°, V = 2640.9(7)(A)3, F(000) = 1272, Z = 4, Dc = 1.540 g/cm3, R = 0.0536 and wR = 0.1207. The Ni2+ ion is six- coordinated to furnish a distorted octahedral geometry.     

Theoretical Study on Enol-keto Tautomerism of α-Fluorine-β-diketones

Density Functional Theory method is applied to investigate the enol-keto tautome- rism of both acyclic and cyclic α-fluorine-β-diketones. It is shown that, for acyclic cases, α-fluorine could improve the relative stability of keto tautomer by lessening intramolecular hydrogen bond of enol form, whereas the relative stability of cyclic enol could be attributed to two factors: destabi- lization of keto and stabilization of enol. Furthermore, the relative stabilities of all enol tautomers are improved in THF to different extents.     

Synthesis and Crystal Structure of 4,4′-(4-(1-Naphthyl)-4-phenyl- 1,3-butadienylidene)-bis[N,N-diethylbenzenamine]

The title compound (C40H42N2) has been synthesized by the reaction of 1-(1-naphthyl)-1-phenyl-3-chloropropylene and bis(4-(diethylamino) phenyl)methanone, and characterized by IR, 1H NMR, MS and X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c with a = 17.047(3), b = 10.807(2), c = 1&494(4) (A), β = 105.727(4)°, V=3279.4(11) A3, Mr = 550.76, Z = 4, Dc = 1.115 g/cm3, μ(MoKα) = 0.085 mm-1, F(000) = 1184, the final R = 0.0625 and wR = 0.1384 for 2276 observed reflections (I ＞ 2σ(Ⅰ)). X-ray analysis reveals that the butadiene fragment adopts a planar cisiod conformation and makes a dihedral angel of 69.4(2)° with the naphthalene ring.     

Synthesis, Spectroscopic Properties and Crystal Structural Characterization of a Triphenyltin(Ⅳ) Complex with 5-Bromonicotinic Acid

A novel organotin complex [Ph3Sn(C2H5OH)(OCOC5H3NBr)SnPh3(OCOC5H3NBr)]has been synthesized by the reaction of 5-bromonicotinic acid with triphenyltin hydroxide in ethanol and characterized by elemental analysis, IR and 1H NMR. The crystal structure was determined by X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/c with a = 15.564(2), b = 24.975(4), c = 12.2973(19) (A), β = 92.224(2)°, Z = 4, V = 4776.5(13) (A)3, Dc = 1.596g/cm3, μ(MoKα) = 2.765 mm-1, F(000) = 2264, R = 0.0385 and wR = 0.0667. In the molecular structure of the title complex, the tin atoms are five-coordinated in a trigonal bipyramidal geometry.     

基于第一性原理的单层WS2热输运特性研究

二维WS₂是一种层状过渡金属硫化物,因其具有特殊的层状结构、可调带隙及稳定的物理化学性质而备受关注。结合玻尔兹曼输运方程(BTE)和密度泛函理论(DFT),利用第一性原理研究了单层WS₂声子的输运特性,分析了声子的谐性效应和非谐性效应对WS₂晶格热导率的影响机理,计算了其声子的临界平均自由程,提出通过调整阻断频率的方法来调控WS₂的晶格热导率。研究结果表明：单层WS₂在300 K时的本征晶格热导率为149.12 W/(m·K),且随温度的升高而降低;从各声子支对总热导率的贡献来看,声学声子支起主要作用,特别是纵向声学(longitudinal acoustic, LA)声子支对单层WS₂热导率的贡献百分比最大(44.28%);单层WS₂声学声子支和光学声子支之间的较大带隙(声光学声子支之间无散射)导致其具有较高的晶格热导率。本文研究可为基于单层WS₂纳米电子器件的设计和改进提供借鉴和理论指导。     

非金属掺杂改性g-C3N4光催化降解水中有机污染物的研究进展

近年来,石墨相氮化碳(g-C₃N₄)以其合适的带隙宽度、丰富的活性位点和成本低廉等优点,成为新兴的可见光响应非金属光催化剂,被广泛应用于光催化降解有机污染物领域。然而,纯g-C₃N₄对可见光的吸收效率较低且光生电子和空穴复合速率快,导致其光催化活性处于较低水平。基于g-C₃N₄的非金属特性,通过非金属掺杂可以有效提高g-C₃N₄的光催化性能,引起了学者们的广泛关注。本文介绍了目前非金属掺杂g-C₃N₄复合材料常见的制备方法,着重归纳了不同类型的非金属掺杂g-C₃N₄光催化降解水中有机污染物的相关研究进展,探讨其作为光催化剂在可见光条件下降解有机污染物的相关机理。最后,提出目前g-C₃N₄基复合材料在光催化降解水中有机污染物中所面临的挑战,旨在为非金属掺杂g-C₃...