STRUCTURE-FUNCTIONAL SELF-ORGANIZATION OF ZrO2–SiO2:Sn(IV) SYSTEM

Volodymyr Trachevskiy, S. Prudius, A. Mylin
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Abstract

The study is devoted to the solution of one of the actual problems of materials science – the conscious management of the fundamental properties of solids. It is based on the development of an algorithm for creating both on intergranular surfaces and in the volume of particles nanosized inclusions, crystallites, structural defects. Taking into account the accumulated results of systematic studies of simple, binary systems as previous experience for further design of more complex systems, for correctly overcome the fundamental disadvantages, associated with the inconsistency of multicomponent systems, the sequence of physico-chemically substantiated technolo­gical stages on the way of formation of functional architecture has been formulated. The coevolutionary concept of self-organization of chemical systems is also formulated, according to which the regulation of the course of structural-functional reorganization processes takes place by two mechanisms: adaptation and bifurcation. Taking into account the phy­sicochemical properties, optimal conditions for the formation of element oxide clusters and the peculiarities of interparticle interaction, the course of structural and functional self-organization – response of colloidal solutions of a multicomponent system to directionally initiated changes in the characteristics of the dispersed reaction medium and, accordingly, the parameters of particles that are deliberately designed in this way (size, shape, composition, structure of their ensembles), as well as the effect on interparticle distances, hierarchy of structural levels, the action of concentration and temperature factors and the introduction of a modifying reagent were diagnosed by va­rious measurements. The driving forces (electro­negativity, competitive rearrangements) and tendencies of energy-supplied bifurcation formation of coordination polyhedra of structure-forming ions in multicomponent ensembles were identified, namely, the pathways of directed initiated rearrangement of the atomic architecture with the organization of oxygen-unsaturated zirconium-containing sites, which determined the matrix formation with practically significant catalytic activity.
ZrO2-SiO2:Sn(IV)体系的结构功能自组织
该研究致力于解决材料科学的一个实际问题-固体基本性质的有意识管理。它是基于一种算法的发展,该算法既可以在晶间表面上产生,也可以在颗粒体积上产生纳米大小的内含物、晶体和结构缺陷。考虑到对简单二元系统的系统研究积累的结果,作为进一步设计更复杂系统的经验,为了正确克服与多组分系统不一致性相关的根本缺点,在功能建筑形成的道路上制定了物理化学证实的技术阶段的顺序。提出了化学系统自组织的协同进化概念,认为结构-功能重组过程的调节通过适应和分岔两种机制进行。考虑到物理化学性质、氧化元素团簇形成的最佳条件和粒子间相互作用的特性,结构和功能自组织的过程——多组分系统的胶体溶液对分散反应介质特性的定向启动变化的响应,以及相应地,以这种方式故意设计的粒子参数(大小、形状、组成、通过各种测量,诊断了它们的整体结构),以及对粒子间距离的影响,结构水平的层次,浓度和温度因素的作用以及修饰试剂的引入。确定了多组分体系中形成结构离子的配位多面体的驱动力(电负性、竞争性重排)和能量供给分岔形成的趋势,即通过含氧不饱和锆位的组织导致原子结构定向引发重排的途径,这决定了具有实际显著催化活性的基质形成。
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