Probing Molecular Quantum Materials by Advanced Spectroscopies

通过先进光谱探测分子量子材料

• 批准号: 2349345
• 负责人: Ziling Xue
• 金额: $ 59.38万
• 依托单位: University of Tennessee Knoxville
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2024
• 资助国家: 美国
• 起止时间: 2024-08-01 至 2027-07-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2349345&HistoricalAwards=false
• 关键词: Probing; Molecular; Quantum; Materials; Advanced

With support from the Chemical Structure, Dynamics & Mechanisms-B Program of the Chemistry Division, Professor Ziling Xue of the Department of Chemistry at the University of Tennessee-Knoxville is developing new classes of molecular quantum materials based on metal complexes and advanced techniques to characterize the materials. One goal of this research is to exploit the characteristics of new Haldane topological materials for the development of spintronic devices and future quantum computers. The other goal is to understand the properties of single-molecule magnets (SMMs) for potential applications in ultra-high density data storage, quantum computation, and cryogenic magnetic refrigeration. The project is interdisciplinary involving inorganic, organic, physical, and materials chemistry. It offers students opportunities to use state-of-the-art facilities at national laboratories in research, broadening their educational background and training. Outreach activities in the project involve high school students to help attract potential first-generation college students from low-income families to the sciences.Spin-1 Haldane chains with oxalate ligands in metal-organic frameworks (MOFs) are a unique type of topological materials, offering neutral, 2D structures with a rich array of magnetic and photophysical properties. In this project, new Haldane materials in MOFs, including those with high-spin Mn(III) spin-2 chains and ligands other than oxalate, will be investigated to understand the unique Haldane-type couplings between neighboring metal ions. For single-molecule magnets (SMMs), spin-phonon and spin-spin couplings, leading to magnetic relaxation, are key to the performance of SMMs. The SMM research in this project includes the following aims: (1) to study intermolecular magnetic interactions between molecules in solids by the unique Q dependence of magnetic peaks in inelastic neutron scattering (INS, Q = length of neutron scattering vector Q); (2) to probe spin-phonon coupling in an SMM by 4D INS and (3) to expand studies of spin-phonon couplings, especially the role of symmetry in Raman spectroscopy.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

在化学部门的化学结构，动力学B计划的支持下，田纳西大学 - 诺克斯维尔大学化学系教授XUE教授正在基于金属复合物和高级技术来开发新的分子量子材料，以表征材料。 这项研究的目标之一是利用新的Haldane拓扑材料的特征来开发自旋设备和未来的量子计算机。 另一个目标是了解在超高密度数据存储，量子计算和低温磁制冷中的潜在应用中单分子磁铁（SMM）的特性。 该项目是跨学科的，涉及无机，有机，物理和材料化学。 它为学生提供了在国家实验室使用最先进的设施进行研究的机会，从而扩大了他们的教育背景和培训。 该项目中的外展活动涉及高中生，以帮助吸引从低收入家庭到科学的潜在的第一代大学生。Spin-1 haldane链中，具有草酸盐配体在金属有机框架（MOFS）中具有草酸盐配体是一种独特的拓扑材料类型，具有中性，2D结构，具有丰富的磁性磁性和辉煌的属性。 在该项目中，将研究MOF中的新型Haldane材料，包括那些具有高旋甲型链甲酸链链链链甲酸盐（III）的链条链和草酸盐以外的配体的材料，以了解相邻金属离子之间独特的Haldane型耦合。 对于单分子磁铁（SMM），自旋 - 寄生和自旋旋转耦合，导致磁性松弛，是SMMS性能的关键。 该项目中的SMM研究包括以下目的：（1）通过无弹性中子散射中磁峰的独特Q依赖性研究固体中分子间磁相互作用（ins，q =中子散射矢量q的长度）； （2）要通过4D ins和（3）在SMM中探测自旋 - 偶联，以扩大对旋转的耦合的研究，尤其是对称耦合的作用，尤其是对对称性在拉曼光谱中的作用。该奖项反映了NSF的法定任务，并通过使用基金会的知识分子优点和广泛的影响来评估NSF的法定任务。