DMREF: Exploring multi-functional molecular electronic materials

DMREF：探索多功能分子电子材料

• 批准号: 1534401
• 负责人: Hai-Ping Cheng
• 金额: $ 120万
• 依托单位: University of Florida
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-09-15 至 2019-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1534401&HistoricalAwards=false
• 关键词: DMREF; Exploring; multi; functional; molecular

With this award, the Designing Materials to Revolutionize and Engineer our Future (DMREF) Program of the Division of Chemistry and the Division of Materials Research is funding Professors Hai-Ping Cheng, George Christou, and Xiaoguang Zhang at the University of Florida to study how to make magnetic materials with some of the smallest dimensions possible. Magnetic materials are important for the electronics industry and the ongoing trend towards miniaturization of devices, has made the development of ever-smaller magnets essential. The team is studying what are termed single-molecule magnets; these are individual molecules that function as magnets yet are smaller than those of traditional magnetic materials. The team is using advanced computational methods to predict which structures will yield the optimal magnetic properties and they are also studying ways to attach the single-molecule magnets to a surface to introduce certain effects crucial to the potential use of these materials in new technologies. The project is providing multi-disciplinary training to the participating graduate students and postdoctoral researchers, research opportunities for high school students through the University of Florida's Summer Student Training Program, and outreach to the general public through the including "Chemistry Day at the Mall" activity.The team led by Professor Cheng has demonstrated from first-principles calculations that the quantum capacitance of a small molecule or nanocluster depends upon its magnetic or geometric configuration. In this project they are now focusing on synthesizing high nuclearity manganese carboxylate clusters with various ligands and correlating the structures with the self-capacitance of the clusters and the magnetic field needed for a low-spin state to a high-spin state transition. The group is using first-principles calculations to predict the effects of changing carboxylate ligands on the magnetic states of high nuclearity manganese clusters and the effects of support surfaces (e.g. boron nitride) on the magnetic and electronic properties of these clusters. The systems are being synthesized, and various scanning tunneling microscopy, spectroscopic and electrochemical studies are being used to characterize the "charging" properties of the nanoclusters. By searching through the three basic "genes," the molecule/cluster, the ligands, and the supporting substrate, the group is quantifying and characterizing how different combinations impact properties, and finding the best combination that produces the largest effect and is most suitable for applications.

有了这个奖项，设计材料彻底改变和设计我们的未来（DMREF）化学和材料研究部计划是为佛罗里达大学的Hai-Ping Cheng，George Christou和Xiaoguang Zhang提供资金，以研究如何研究使一些最小维度的磁性材料成为可能。磁性材料对电子行业至关重要，并且设备小型化的持续趋势使得越来越小的磁铁必不可少。该团队正在研究所谓的单分子磁铁。这些是单独的分子，它们充当磁铁，但比传统磁性材料的分子小。该团队正在使用先进的计算方法来预测哪些结构将产生最佳磁性特性，并且他们还在研究将单分子磁体连接到表面上的方法，以引入某些对这些材料在新技术中的潜在使用至关重要的效果。该项目正在为参与的研究生和博士后研究人员提供多学科培训，通过佛罗里达大学的夏季学生培训计划为高中生提供的研究机会，并通过“购物中心”活动包括“化学日”活动。由Cheng教授领导的团队从第一原理计算中证明了小分子或纳米簇的量子电容取决于其磁或几何构型。在这个项目中，他们现在专注于将高核性锰羧酸盐簇与各种配体合成，并将结构与簇的自pa剂以及低旋转状态所需的磁场与高旋转状态过渡相关联。该组正在使用第一原理计算来预测羧酸盐配体变化对高核能锰簇的磁状态的影响，以及支撑表面（例如硝酸硼）对这些簇的磁性和电子性能的影响。这些系统正在合成，并且正在使用各种扫描隧道显微镜，光谱和电化学研究来表征纳米簇的“充电”特性。 通过搜索三个基本的“基因”，分子/簇，配体和辅助底物，该组正在量化和表征不同的组合如何影响特性，并找到产生最大效果的最佳组合，并且最适合最适合申请。