A density functional theory study on parameters fitting of ultra long armchair （n, n） single walled boron nitride nanotubes

Armchair(n,n) single walled boron nitride nanotubes with n = 2-17 are studied by the density functional theory at the B3LYP/3-21G(d) level combined with the periodic boundary conditions for simulating the ultra long model.The results show that the structure parameters and the formation energies bear a strong relationship to n.The fitted analytical equations are developed with correlation coefficients larger than 0.999.The energy gaps of(2,2) and(3,3) tubes are indirect gaps,and the larger tubes(n = 4-17) have direct energy gaps.Results show that the armchair boron nitride nanotubes(n = 2-17) are insulators with wide energy gaps of between 5.93 eV and 6.23 eV.     

LaMgAl11O19加入对8YSZ 材料力学性能的影响

为改善 8YSZ 材料的力学性能,利用呈板片状结构的 LaMgAl11O19 来强韧化 8YSZ 陶瓷,在 1600 ℃下保温 3 h制备了LaMgAl11O19 -8YSZ 复相陶瓷,研究了 LaMgAl11O19 的添加量对 8YSZ 基复相陶瓷的致密度、显微形貌和力学性能的影响.结果表明,添加板片状 LaMgAl11O19可较明显地改善8YSZ陶瓷的力学性能.当 LaMgAl11O19 的添加量为 20 wt;时,8YSZ基复相陶瓷的抗弯强度和断裂韧性分别为297.4 MPa和4.0 MPa·m1/2.     

Studies on heteronuclear diatomic molecular dissociation energies using algebraic energy method

The algebraic energy method (AEM) is applied to the study of molecular dissociation energy $D_e$ for 11 heteronuclear diatomic electronic states: $a^3\Sigma^+$ state of NaK, $X^2\Sigma^+$ state of XeBr, $X^2\Sigma^+$ state of HgI, $X^1\Sigma^+$ state of LiH, $A^3\Pi(1)$ state of ICl, $X^1\Sigma^+$ state of CsH, $A(^3\Pi_1)$ and $B0^+(^3\Pi)$ states of ClF, $2^1\Pi$ state of KRb, $X^1\Sigma^+$ state of CO, and $c^3\Sigma^+$ state of NaK molecule. The results show that the values of $D_e$ computed by using the AEM are satisfactorily accurate compared with experimental ones. The AEM can serve as an economic and useful tool to generate a reliable $D_e$ within an allowed experimental error for the electronic states whose molecular dissociation energies are unavailable from the existing literature.     

Temperature or strain induced adjustable-chirp characteristics of uniform fibre grating with tapered metal coating

Temperature and strain characteristics of uniform fibre grating with tapered metal coatings have been analysed theoretically, by which adjustable chirp characteristics of such gratings are shown. Electroplating is adopted to fabricate such gratings, and the tapered metal coating is obtained by gradually drawing the fibre grating out of the solution during the process of electroplating. The gradually changing cross-sectional area of the metal coating is calculated by a newly suggested numerical method. By combining the theoretical and numerical simulation analyses, the gratings' characteristics are given at various temperatures and strains. The results obtained using such a method are also testified by experiments.     

大学化学素质教育的情景创设实践--"消费化学"情景创设课件设计

本文根据“消费化学”课程所要求的内容、依据情景创设的原则、目的、途径等制作课件,并针对本课程情景创设进行讨论总结.结合课件中情景创设实例阐明“消费化学”情景创设课件设计的意义和作用,希望能为高校“消费化学”课堂情景教学提供参考.     

5-对羟基苯基-10,15,20-三对甲氧基苯基卟啉镍LB膜的研制与表征

近年来具有特定功能的卟啉、酞青衍生物LB膜制备的成功,为其在光学、微电子学、光电化学、化学生物传感器和模拟生物过程中的广泛应用开辟了新的途径。     

以光纤白光干涉为例的波动光学教学设计

文章以工程教育专业认证为背景,在大学物理的光学教学中引入了基于工程实践的光纤白光干涉内容,进而设计一堂大学物理光学部分的拓展课。该教学设计运用知识迁移规律使学生将大学物理中的基础知识应用到新的前沿知识领域,从大学物理的基础知识——迈克耳孙干涉仪推广到基于光纤的迈克耳孙干涉仪,实现了基础知识向实际工程应用的迁移,培养了学生采用科学方法解决复杂工程问题的能力。     

有机化学创新设计性实验*——氨基酸催化的不对称Aldol反应

氨基酸催化的不对称Aldol反应是不对称催化领域的一个研究热点,将其转化为设计性创新实验并面向化学院三年级学生开设。通过对反应底物、催化剂、溶剂等不同反应条件的探索,加深学生对手性、烯胺催化等概念、机理的理解,培养学生的科研能力及创新能力。     

不同硫源水热合成的MoS_2催化剂的形貌和加氢脱氧活性比较研究（英文）

分别采用硫脲、L-胱氨酸和硫磺为硫源水热合成了三种MoS_2催化剂,对其结构和形貌特征进行了表征,并以对甲酚为探针化合物,比较研究了三种MoS_2的加氢脱氧(HDO)催化活性。结果表明,硫源对MoS_2晶体结构的影响不大,但对其形貌和比表面积影响较大。与商业MoS_2相比,所制备的MoS_2催化剂都表现出更高的HDO活性;其中,以硫脲为原料合成的MoS_2具有较高的比表面积和花状结构,其催化活性最高,在300℃下进行对甲酚的HDO反应,脱氧度可达99.3%。     

柳树病叶的傅里叶变换红外光谱研究

利用傅里叶变换红外(FTIR)光谱技术对三种柳树正常叶和病叶,同一枝条的幼叶、成叶、黄叶、病叶进行光谱测试,旨在分析柳树病叶发生的一些生理变化,并探讨柳树病变对系统聚类的影响。谱图显示不同阶段的叶片光谱变化主要在1800~800cm-1。对此波段进行二阶导数处理,清晰可看到蛋白质和木质素的叠加区域1700~1500cm-1,草酸钙特征峰1621、1318cm-1,糖类特征峰1075cm-1附近峰强有明显变化,用吸光度比A1621/A3390、A1318/A3390、A1075/A3390来比较草酸钙和糖类相对含量变化,用1700~1500cm-1波段的拟合峰面积比S酰胺I/S木质素、S酰胺Ⅱ/S木质素和S酰胺Ⅱ/S酰胺I来比较蛋白质相对含量变化。结果显示,病叶的草酸钙相对含量增加、多糖和蛋白质相对含量在减少。将叶片1800~800cm-1范围的二阶导数进行系统聚类,发现病叶化学成分的改变没有影响聚类效果,聚类正确率达100%。