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.

在化学系化学结构，动力学机制-B项目的支持下，田纳西大学诺克斯维尔分校化学系的薛子凌教授正在开发基于金属配合物和先进技术的新型分子量子材料。 本研究的一个目标是利用新的Haldrons拓扑材料的特性用于自旋电子器件和未来量子计算机的开发。 另一个目标是了解单分子磁体（SMM）在超高密度数据存储，量子计算和低温磁制冷方面的潜在应用。 该项目是跨学科的，涉及无机，有机，物理和材料化学。 它为学生提供机会，使用国家实验室的最先进的设施进行研究，扩大他们的教育背景和培训。 该项目中的外联活动涉及高中生，以帮助吸引来自低收入家庭的潜在第一代大学生进入科学领域。金属有机框架（MOFs）中具有草酸盐配体的Spin-1卤代烷链是一种独特的拓扑材料，提供中性的2D结构，具有丰富的磁性和电物理性质。 在该项目中，将研究MOFs中的新Haldane材料，包括具有高自旋Mn（III）自旋2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。 对于单分子磁体（SMM），自旋-声子和自旋-自旋耦合导致磁弛豫，是SMM性能的关键。 本项目的SMM研究包括以下几个方面：（1）利用非弹性中子散射中磁峰的独特的Q依赖性，研究固体中分子间的磁相互作用（INS，Q =中子散射矢量Q的长度）;（2）利用四维惯性导航系统探测SMM中的自旋-声子耦合;（3）扩展自旋-声子耦合的研究，特别是对称性在拉曼光谱学中的作用。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。