CAS: Hard Permanent Magnets Through Molecular Design

CAS：通过分子设计实现硬质永磁体

• 批准号: 2206534
• 负责人: Jeffrey Long
• 金额: $ 57.7万
• 依托单位: University of California-Berkeley
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-08-01 至 2025-07-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2206534&HistoricalAwards=false
• 关键词: CAS; Hard; Permanent; Magnets; Through

PART 1: NON-TECHNICAL SUMMARYMagnetism is a scientific concept that penetrates society in myriad aspects of daily life, from the magnets in electric motors, to portable electronics, to scanners for diagnostic medical imaging. With this project, supported by the Solid State and Materials Chemistry Program in NSF’s Division of Materials Research, researchers at the University of California (UC) Berkeley create new magnetic materials whose design is tailored at the atomic level. The research significantly advances our knowledge and understanding of permanent magnet materials, in particular how to synthesize them through molecular design principles. The research could be transformative in that it offers the potential to inform the design and manufacture of new magnets with superior properties relative to the current state-of-the-art. At a more fundamental level, the research has significant impact in the areas of magnetic materials, materials chemistry, and metal–organic frameworks. In addition, many researchers engaged in the disciplines of condensed matter physics, conductive materials, and quantum information science can also benefit from the new insights gained by the research. Beyond these scientific benefits, this project broadly expand its impact by creating educational opportunities for the general public, specifically through the production of educational outreach program branching off an existing collaboration, where graduate students from UC Berkeley produce lessons on magnetic materials for Bay Area elementary school students. This outreach program is intended to reach large numbers of K-12 students that constitute diverse backgrounds.PART 2: TECHNICAL SUMMARYAs part of this project, supported by the Solid State and Materials Chemistry Program in NSF’s Division of Materials Research, researchers at UC Berkeley test the hypothesis that the design principles governing magnetic anisotropy in molecules can inform the design of ultrahard permanent magnet materials. Specifically, work from many research groups over the past two decades has uncovered how coordination chemistry can be applied to tailor geometric and electronic structures of molecules with atomic precision, to maximize the single-ion magnetic anisotropy—the fundamental source of the strength, or “hardness”, of a permanent magnet. This project employs these design principles to incorporate selected classes of high-anisotropy molecules—in particular high-performance single-molecule magnets—into metal–organic framework materials. Both transition metal- and lanthanide (Ln)-based molecular building units are pursued, falling into four main classes: (i) mixed-valence Ln2X3 cores with immense coercivity, (ii) low-valent lanthanide complexes with populated 5d orbitals, (iii) two- and three-coordinate transition metal complexes, and (iv) trigonal paddlewheel complexes. To install strong coupling interactions between these high-anisotropy nodes, two synthetic strategies are utilized: (i) high-energy organic linker-based spins and (ii) electron delocalization in mixed-valence materials. The students and postdoctoral researchers who carry out this research receive training in the synthesis of and characterization of framework materials, including sophisticated physical methods such as magnetometry, x-ray diffraction, and Mössbauer spectroscopy. Moreover, these researchers regularly interact with collaborators in other research groups, both at Berkeley and other institutions. This collaborative culture fosters an open and inclusive forum for scientific advancement, and aids in the professional development and teamwork skills of the involved researchers.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.

第 1 部分：非技术摘要磁性是一个科学概念，它渗透到社会日常生活的各个方面，从电动机中的磁铁到便携式电子产品，再到用于诊断医学成像的扫描仪，该项目得到了固态和材料的支持。加州大学伯克利分校 (UC) 伯克利分校的研究人员在 NSF 材料研究部的化学项目中创造了新的磁性材料，其设计是在原子水平上量身定制的，这项研究极大地增进了我们对永磁体的认识和理解。材料，特别是如何通过分子设计原理合成它们，这项研究可能具有变革性，因为它为设计和制造具有相对于当前最先进技术更优越性能的新型磁体提供了潜力。该研究在磁性材料、材料化学、金属有机框架等领域具有重大影响，此外，许多从事凝聚态物理、导电材料、量子信息科学等学科的研究人员也可以从新的研究中受益。超越研究获得的见解。这些科学效益，该项目通过为公众创造教育机会，特别是通过现有合作的教育推广计划的制定，广泛扩大其影响力，加州大学伯克利分校的研究生为湾区小学生提供磁性材料课程该推广计划旨在覆盖大量具有不同背景的 K-12 学生。第 2 部分：技术摘要作为该项目的一部分，得到了美国国家科学基金会材料研究部固态和材料化学项目、加州大学研究人员的支持。伯克利分校测试了这样一个假设，即控制分子磁各向异性的设计原理可以为超硬永磁材料的设计提供信息。具体来说，过去二十年许多研究小组的工作揭示了如何应用配位化学来定制磁体的几何和电子结构。原子精度的分子，以最大化单离子磁各向异性——永磁体强度或“硬度”的基本来源。该项目采用这些设计原理来合并选定类别的高各向异性分子——特别是高各向异性分子。 -表现单分子磁体 - 转化为金属有机骨架材料。基于过渡金属和镧系元素（Ln）的分子构建单元被追求，分为四个主要类别：（i）具有巨大矫顽力的混合价Ln2X3磁芯，（ii）具有填充的 5d 轨道的低价镧系元素络合物，(iii) 二配位和三配位过渡金属络合物，以及 (iv) 三角叶轮络合物在这些络合物之间建立强耦合相互作用。高各向异性节点，采用两种合成策略：（i）基于高能有机连接基的自旋和（ii）混合价材料中的电子离域。进行这项研究的学生和博士后研究人员接受了合成的培训。框架材料的表征，包括复杂的物理方法，如磁力测量、X 射线衍射和穆斯堡尔光谱。此外，这些研究人员定期与伯克利和其他机构的其他研究小组的合作者进行互动。为科学进步营造一个开放和包容的论坛，并有助于相关研究人员的专业发展和团队合作技能。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。