Doping Molecular Crystals

掺杂分子晶体

• 批准号: 1306247
• 负责人: Jennifer Swift
• 金额: $ 42万
• 依托单位: Georgetown University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2013
• 资助国家: 美国
• 起止时间: 2013-06-01 至 2017-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1306247&HistoricalAwards=false
• 关键词: Doping; Molecular; Crystals

Technical AbstractIn this project supported by the Solid State and Materials Chemistry Program of the Division of Materials Research, the formation of solid solutions is explored as a means to tune the physical properties (e.g. thermal stability, solubility, hardness) of metastable molecular crystal phases. Solid solutions of uric acid dihydrate (UAD) and assorted inorganic, molecular and polymeric components are prepared. The physical properties of pure materials and solid solutions are analyzed using a battery of complementary techniques with the overall goal to establish structure-properties correlations. In situ AFM provides molecular-level insight into the growth mechanisms of solid solutions. Nanoindentation studies enable comparison of the mechanical properties of pure UAD, doped UAD and the more stable anhydrous uric acid phase. The application of solid solution strategies to a broader class of molecular components known to crystallize in both anhydrous and hydrated phases enables a fuller understanding of the true scope of property changes that can be achieved in organic systems through solid solution formation. X-ray diffraction, thermal analysis, and microscopy methods are used to compare the physical properties of pure and doped crystalline materials. Vapor sorption experiments are used to compare the deliquescence behavior of pure and doped metastable anhydrous phases. Non-technical AbstractMany industries such as pharmaceuticals, foods, agrochemicals and energetics rely on organic molecular crystals. This research aims to increase our understanding of the relationship between physical properties (e.g. stability, solubility, water uptake or release, mechanical strength) and the 3D structure of the crystal. Prof. Swift additionally establishes a collaboration with researchers at a National Lab facility. This collaborative research provides valuable interdisciplinary training opportunities for graduate, undergraduate and high school students.

技术摘要在这个由材料研究部的固态和材料化学计划支持的项目中，探索了固溶体的形成，作为调节亚稳分子晶体相的物理性质（例如热稳定性、溶解度、硬度）的一种手段。 制备尿酸二水合物（UAD）和各种无机、分子和聚合物组分的固溶体。 纯材料和固溶体的物理性质进行了分析，使用电池的互补技术的总体目标是建立结构性能的相关性。原位原子力显微镜提供了分子水平的洞察固体溶液的生长机制。纳米压痕研究能够比较纯UAD、掺杂UAD和更稳定的无水尿酸相的机械性能。将固溶体策略应用于已知在无水和水合相结晶的更广泛的分子组分，能够更全面地理解通过固溶体形成在有机系统中可以实现的性质变化的真实范围。 X射线衍射、热分析和显微镜方法被用来比较纯的和掺杂的晶体材料的物理性质。蒸汽吸附实验被用来比较纯的和掺杂的亚稳无水相的潮解行为。 许多工业如制药、食品、农用化学品和能源都依赖于有机分子晶体。 这项研究旨在增加我们对物理性质（例如稳定性，溶解性，吸水或释放，机械强度）与晶体3D结构之间关系的理解。 Swift教授还与国家实验室的研究人员建立了合作关系。 这项合作研究为研究生、本科生和高中生提供了宝贵的跨学科培训机会。