A New Organo-templated Layered Zincophosphate Synthesized from a Solvothermal System Containing Racemic1,2-Diaminopropane

IntroductionSince Wilson and co- workers successfullysynthesized three- dimensional microporousaluminophosphates (Al PO4 - n ) [1] in the 1 980 s,much attention has been focused on the explorationof1 - D chain,2 - D layer and3 - D open- frameworkmetal phosphates from aqueous or non- aqueoussystems.The number of metals incorporated intothe frameworks of these materials is continuouslyincreasing and the metals include Be[2 ] ,Ga[3] ,In[4 ] ,Sn[5] ,Sb[6 ] ,and the transition metals Zn[7] ,Ni…     

Effects of the Specific Area and the Thermal Stability of a Polymer on the Catalytic Activities of Polymer Immobilized Co-Pd Catalysts by SAMI

Co-Pd bimetallic catalysts immobilized with four kinds of resins with different specific areas were prepared by means of the solvated metal atom impregnation (SMAI) method. The results of the XRD and the magnetic measurement showed that as the specific area of the resin increased, the particle sizes of Co and Pd on the catalysts with the same metal content decreased, so the catalytic activity of the catalysts for the hydrogenation of diacetone alcohol as well as the reduction of oxygen on the fuel cell electrode increased. Below 140 , the conversion of diacetone alcohol increased as the reaction temperature increased, and above 140 , the conversion decreased because of the rupture of the resin.     

A Fluorescence Optical Fiber Sensor for Amrinon Using a New Oxazole Compound

ＩｎｔｒｏｄｕｃｔｉｏｎＡｍｒｉｎｏｎ,ａｓｙｎｔｈｅｔｉｃｂｉｐｙｒｉｄｉｎｅｄｅｒｉｖａｔｉｖｅ,ｎｏｎｇｌｙｃｏｓｉｄｅａｎｄｎｏｎｃａｔｅｃｈｏｌａｍｉｎｅｃａｒ－ｄｉｏｔｏｎｉｃｓｔｉｍｕｌａｎｔ,ｉｓｃｕｒｒｅｎｔｌｙｕｓｅｄｉｎｔｈｅｔｒｅａｔｍｅｎｔｏｆｔｈｅｈｅａｒｔｆａｉｌｕｒｅａｎｄｆｏｒｃａｒｄｉｏｖａｓｃｕ－ｌａｒｓｕｐｐｏｒｔｉｎｐｅｄｉａｔｒｉｃｐａｔｉｅｎｔｓ．Ｉｔｐｏｓｓｅｓｓｅｓｐｏｔｅｎｔｃａｒｄｉａｃａｎｄｂｌｏｏｄｖｅｓｓｅｌｓｐｒｅａｄｉｎｇｅｆ－ｆｅ…     

The Elastic Continuum Limit of the Tight Binding Model

The authors consider the simplest quantum mechanics model of solids,the tight binding model,and prove that in the continuum limit,the energy of tight binding model converges to that of the continuum elasticity model obtained using Cauchy-Born rule.The technique in this paper is based mainly on spectral perturbation theory for large matrices.     

固体中过渡金属离子占位、价态及光谱性质的第一性原理研究EI北大核心CSCD

过渡金属(TM)激活离子由于在近红外发光、红外激光、荧光转化的白光LED、荧光温度计、余辉发光等方面的优异性能和应用潜力而被广泛研究。TM离子在固体中可占据八配位、六配位、四配位等多种配位格位,可呈现多种价态且光跃迁性质强烈依赖于晶体环境,因此TM离子在固体中的发光中心确定、发光机理理解和性能预测存在困难。本文通过第一性原理计算探索固体中TM离子的热力学和光跃迁性质。内容包括:通过对各种化学氛围下形成能的计算结果,分析基质的本征缺陷以及TM离子占位、价态、分布和浓度;理解不同晶体环境中TM离子的各激发态和能级结构;构建位形坐标图分析激发、弛豫、发射及猝灭过程;提出通过合成氛围、共存条件和离子共掺等方式调控或优化TM离子的占位、价态和光跃迁的方案。本文以若干具有代表性的体系为依托,展示了如何运用第一性原理计算手段进行掺TM离子固体发光材料的研究。具体所涉及的代表体系和研究内容为:Ti:Al_(2)O_(3)激光晶体中红外残余吸收机理及其减弱或尽可能消除的方法,典型尖晶石和石榴石基质中Mn^(2+)、Mn^(3+)、Mn^(4+)的占位和激发、弛豫、发射等光跃迁性质,固溶氧化物基质中铬离子的占位、价态及相应的光跃迁性质等,表明第一性原理计算可用于发光材料的机理研究、理性设计和优化。