Solid State Oxides and Oxyfluorides

固态氧化物和氟氧化物

• 批准号: 0604454
• 负责人: Kenneth Poeppelmeier
• 金额: $ 42万
• 依托单位: Northwestern University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-07-01 至 2010-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0604454&HistoricalAwards=false
• 关键词: Solid; State; Oxides; Oxyfluorides

Non-technicalThe rational design of crystal structures based on the chemical nature of molecular components and functionality is a longstanding and exciting research topic in organic solid state chemistry. Only recently has crystal engineering become an emerging area of inorganic solid state chemistry. With the judicious use of the geochemical and environmental science literature, we continue to develop high yield reactions, control purity, and grow single crystals of new materials that lack inversion symmetry. New materials lacking inversion symmetry (or noncentrosymmetric materials) are the basis of all current and future technologies based on piezoelectricity, pyroelectricity and ferroelectricity. Numerous inventions during the past two decades have been created based on noncentrosymmetric structures. All future advances in this area await the education of a new generation of students capable of the design and synthesis of this special combination of atoms which is required to create noncentrosymmetric materials.Technical Abstract DMRThis project aims to understand how to optimize geometries and the electrostatic potential of metal oxo and oxofluoro-species to create order and avoid disorder in the metal-oxygen and metal-fluoride bonds. The crystal symmetries of the oxyfluorides are determined by the network of contacts the surrounding lattice provides, which are in turn deliberately controlled to create chiral, polar, or chiral-polar three-dimensional solids. Noncentrosymmetric structures are those that lack inversion symmetry. Structures lacking inversion symmetry are a requirement for important current and future technologies that have been created by numerous inventions during the past two decades based on piezoelectricity, pyroelectricity, ferroelectricity and second harmonic generation (SHG). These materials provide a large and new class of solids for studies in basic science associated with the noncentrosymmetric space groups. Stable, robust, high-performance nonlinear optical (NLO) materials with enhanced optical properties at the microscopic and macroscopic level depend on inorganic materials which possess a dipole moment and thus exhibit large optical nonlinearities. These materials are essential for the modification of the amplitude, phase, or frequency of an optical signal. Mixed metal oxide fluorides are a new class of high performance inorganic solid state materials that exhibit polar and chiral (sometimes in combination polar and chiral) structures. Students are trained to carry out semi-combinational syntheses and theoretical modeling studies to guide and advance our program of exploratory synthesis and to achieve high quality single crystals. Crystals are essential for structural studies, characterization and physical measurements of materials which exhibit a nonlinear optical response.

基于分子成分和功能的化学性质的晶体结构的合理设计是有机固态化学中的一个长期且令人兴奋的研究主题。 直到最近，水晶工程才成为无机固态化学的新兴领域。 通过明智地使用地球化学和环境科学文献，我们将继续发展高产反应，控制纯度，并种植缺乏反转对称性的新材料的单晶。 缺乏反转对称性（或非中心材料）的新材料是基于压电性，上型和铁电性的所有当前和未来技术的基础。 在过去的二十年中，许多发明是基于非中心对称结构创建的。 这一领域的所有未来进步都在等待着一种新一代学生的教育，能够设计和综合这种特殊的原子组合，这是创建非中心对称材料所需的。技术抽象DMRTHTHIS THIMTHIS项目旨在了解如何优化几何和静电潜力金属氧和氧荧光物质的物种，以在金属氧和金属氟化物键中产生秩序和避免混乱。氧氟化物的晶体对称性取决于周围晶格提供的接触网络，而晶格的触点网络又是故意控制的，以产生手性，极性或手性极性三维固体。非中心对称结构是缺乏反转对称性的结构。缺乏反演对称性的结构是对过去二十年来基于压电，pyroleclectricity，pyrolectricity，Ferroelectricity和第二次谐波生成（SHG）创建的重要当前和未来技术的要求。这些材料为与非中心对称空间组相关的基础科学研究提供了一类新的固体。在显微镜和宏观水平上具有增强的光学特性的稳定，健壮，高性能的非线性光学（NLO）材料取决于具有偶极矩的无机材料，因此具有较大的光学非线性。 这些材料对于修改光学信号的振幅，相或频率至关重要。 混合金属氧化物氟化物是一种新的高性能无机固态材料，它们表现出极性和手性（有时是极性和手性）结构。 培训学生可以进行半组合合成和理论建模研究，以指导和推进我们的探索性合成计划并实现高质量的单晶。 晶体对于表现出非线性光学反应的材料的结构研究，表征和物理测量至关重要。