基于Rouard方法的一维光子晶体带隙结构计算

文章将广泛应用于薄膜光学和波导光栅理论计算的Rouard方法引入到一维光子晶体(PC)带隙结构计算当中,从物理光学的多光束干涉角度解释了光子带隙的产生原因.详细推导了Rouard方法的相关公式,并应用Rouard方法计算了具有不同结构特点的一维光子晶体的反射谱.计算结果表明Rouard方法是有效的,并且具有物理概念清晰、公式简洁的特点.     

浅析相关系数的显著性检验

本文用最小二乘法作直线拟合,给出相关系数显著性检验的判断方法,指出了用概率理论判断线性相关的必要性。     

Fluorinated carbon with ordered mesoporous structure

Fluorination and structural change of highly ordered mesoporous carbons were studied. Mesoporous and fluorinated carbons with ordered cubic structure were synthesized and characterized with TEM, FTIR, adsorption, and EDX.     

Synthesis, crystal structure, and solid-state NMR spectroscopy of a new open-framework aluminophosphate (NH(4))(2)Al(4)(PO(4))(4)(HPO(4))xH(2)O

A new three-dimensional open-framework aluminophosphate (NH(4))(2)Al(4)(PO(4))(4)(HPO(4)).H(2)O (denoted AlPO-CJ19) with an Al/P ratio of 4/5 has been synthesized, using pyridine as the solvent and 2-aminopyridine as the structure-directing agent, under solvothermal conditions. The structure was determined by single-crystal X-ray diffraction and further characterized by solid-state NMR techniques. The alternation of the Al-centered polyhedra (including AlO(4), AlO(5), and AlO(6)) and the P-centered tetrahedra (including PO(4) and PO(3)OH) results in an interrupted open-framework structure with an eight-membered ring channel along the [100] direction. This is the first aluminophosphate containing three kinds of Al coordinations (AlO(4), AlO(5), and AlO(6)) with all oxygen vertexes connected to framework P atoms. (27)Al MAS NMR, (31)P MAS NMR, and (1)H --> (31)P CPMAS NMR characterizations show that the solid-state NMR techniques are an effective complement to XRD analysis for structure elucidation. Furthermore, all of the possible coordinations of Al and P in the aluminophosphates with an Al/P ratio of 4/5 are summarized. Crystal data: (NH(4))(2)Al(4)(PO(4))(4)(HPO(4))xH(2)O, monoclinic P2(1) (No. 4), a = 5.0568(3) A, b = 21.6211(18) A, c = 8.1724(4) A, beta = 91.361(4) degrees , V = 893.27(10) A(3), Z = 2, R(1) = 0.0456 (I > 2 sigma(I)), and wR(2) = 0.1051 (all data).     

Organosilica copolymers for the adsorption and separation of multiple pollutants

Benzene, diethylbenzene, and ethylenediamine-bridged bistrialkoxy precursors were used in the synthesis of multifunctional PMO copolymers for the adsorption of phenols and metal ions. Polyoxyethylene(10) stearyl ether (Brij 76) was used as the structure director with the surfactant template approach in the synthesis. The resulting PMO copolymers with two or more bridging groups have been characterized by nitrogen gas adsorption, powder X-ray diffraction, and 13C and 29Si solid-state NMR. These organosilicas exhibit large surface areas, narrow pore size distributions, large total pore volumes, and pore ordering consistent with well ordered, hexagonally packed p6mm structures. Minimal competitive effects were observed on the adsorption of p-chlorophenol to the copolymers in the presence of copper ions in solution. Similarly, the presence of p-chlorophenol in solution or adsorbed onto the copolymers did not interfere with copper adsorption. Replacement of a small portion of the benzene bridge in the 90:10 BENZ:EDA copolymer with diethylbenzene produced a copolymer 2.5-fold more efficient for p-chlorophenol adsorption. ICP analysis revealed that greater than 98% of adsorbed copper was removed during extraction with HCl, and this extraction process can be repeated with no difference in copper adsorption after regeneration.     

《中国惯性技术学报》(1996～2000年)刊载论文的统计分析

对《中国惯性技术学报》1 996～ 2 0 0 0年内刊发的论文进行了分类统计 ,从刊载的论文量、论文内容和论文作者的地域分布以及作者署名情况、文献引用等几个方面进行了分析 ,简要勾画出了我国惯性技术领域科技论文产出力的分布和影响力的概貌 ,最后进行综合评价并提出了几点建议。     

跨导系数Kn的可变应用

IC设计中,为计算方便,设计者往往将K_n作为常量使用。这与实际情况不符并会导致设计的电路进行仿真时的结果总与性能指标有一定的差距。本文在仿真基础上,探讨并解释K_n的影响因素。最后针对实际使用的情况,提出在模拟电路设计的定量计算时应合理选取K_n的分区选择法。     

水热条件下Y型沸石的转晶行为

系统研究了以KOH为结构导向剂,Y型沸石（HY和NaY）在水热条件下转晶为MER型沸石的行为.MER型沸石是硅铝比（Si/Al）在2~3之间且具有四种尺寸8元环孔道（3.1Å×3.5Å,2.7Å×3.6Å,3.4Å×5.1Å,3.3Å×3.3Å）的硅铝沸石分子筛,在小分子催化以及分离方面具有重要的潜在应用.传统水热法合成高结晶度MER型沸石需要7~10 d,将Y型沸石置于KOH的溶液中,经水热处理可在2 d内生成高结晶度的MER型沸石,而水热处理具有等价摩尔组成的无定形硅铝凝胶则得不到高结晶度MER型沸石的纯相.HY沸石可在100和150℃发生转晶,而NaY则只能在150℃发生转晶.KOH/SiO₂比和H₂O/SiO₂比对Y型沸石的转晶行为有重大的影响,只有在最优KOH/SiO₂比和H₂O/SiO₂比条件下才能生成高结晶度的MER型沸石.该转晶合成法显著缩短了MER型沸石的合成周期,对缩短其它有重大工业应用价值的沸石分子筛的合成周期有重要的借鉴意义.     

多孔材料的研究进展

本文总结了2010~2013国际和国内在无机微孔材料领域的研究进展和亮点,比较了国内外研究的进展,展望了本领域的发展趋势。全文共引用参考文献87篇。     

以两种季铵碱为模板剂合成A形体富集Beta沸石及其晶化过程

以三甲基环己基氢氧化铵和二甲基乙基环己基氢氧化铵为模板剂或结构导向剂(SDA), 采用超浓水热方法合成了A形体富集的Beta沸石, 用粉末X射线衍射(XRD)、 扫描电子显微镜(SEM)、 ²⁹Si固体魔角自旋核磁共振(²⁹Si MAS NMR)以及氮气吸附等表征手段对其进行了详细表征, 探索了最优合成条件, 研究了其晶化过程. 结果表明, 在晶化初期产物中己出现A形体过量特征, 随着晶化的进行, A形体的过量程度无显著变化.