MRI: Acquisition of an Integrated Dynamic Nuclear Polarization (DNP) Solid-State NMR Instrument with Unprecedented Sensitivity for Studies of Functional Materials

MRI：获取集成动态核极化 (DNP) 固态 NMR 仪器，具有前所未有的灵敏度，可用于功能材料研究

• 批准号: 1429710
• 负责人: Bradley Chmelka
• 金额: $ 117.16万
• 依托单位: University of California-Santa Barbara
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2014
• 资助国家: 美国
• 起止时间: 2014-09-01 至 2017-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1429710&HistoricalAwards=false
• 关键词: MRI; Acquisition; Integrated; Dynamic; Nuclear

Nontechnical: Recently developed dynamic nuclear polarization (DNP) nuclear magnetic resonance (NMR) spectroscopy instrumentation provides new opportunities to measure the compositions and structures of technologically important solid-state materials at the level of their atoms. Such capabilities yield new insights that are central to the design, development, and engineering of novel solid-state materials with promise for far-reaching societal or industrial impacts. Specific materials and applications under investigation include high-performance and low-carbon-footprint cements, catalysts for converting biofuels and natural gas to high-value liquid products, organic photovoltaic thin films and nanoscale semiconductors for solar energy conversion, battery and fuel cell materials for electrochemical energy generation and storage, and bio-inorganic solids for sustainable structural materials. Use and understanding of state-of-the-art DNP-NMR instrumentation by students contribute to their education and training across the chemical, physical, materials, and biological sciences. The analyses and applications provide interdisciplinary training that prepares students to address continually-changing energy, environmental, and other needs of society in the broadest of terms. Independent or collaborative access to the integrated DNP-NMR spectrometer by researchers at other regional, national, and international universities extend user base and benefits of the instrument beyond UCSB, in particular to regional partner groups at UC Berkeley, UC Irvine, UCLA, UC Riverside, and Cal Poly. Technical: The DNP-NMR instrumentation provides an unprecedented combination of both high signal sensitivity and high spectral resolution for measuring molecular surface species that govern the functions of materials for a broad range of energy, structural, and environmental applications. Among the critical problems and challenges to improving the properties of such materials is the insufficient sensitivity of conventional methods, including NMR, especially for the detection of dilute or surface species. Integrated DNP-NMR measurements provide dramatic NMR signal enhancements of 2 orders of magnitude, resulting in time savings of up to 4 orders of magnitude over that achievable with previous state-of-the-art capabilities. The DNP-NMR instrument represents a breakthrough in molecular characterization that opens new opportunities to characterize and understand heterogeneous functional solids. The scope and goals of the research notably include materials with industrially relevant compositions, synthesized under industrially relevant conditions, and/or materials with low-surface areas or dilute or low-natural abundance species (e.g., 13C, 15N, 29Si, 77Se). The resulting DNP-NMR spectra and analyses are without precedent in the technical literature and enable, for the first time, the molecular-level characterization of complicated compositions and structures of material surfaces that till now have been entirely infeasible by conventional high-field NMR spectroscopy. Such solid-state DNP-NMR capabilities are expected to enable broad and transformative advancements in the materials and chemical sciences and become a standard for molecular characterization of complicated heterogeneous materials, whose surface functionalities are crucial to their properties, but whose molecular origins have previously been exceedingly challenging to establish.

非技术性：最近开发的动态核极化(DNP)核磁共振(核磁共振)光谱仪器为在原子水平上测量具有重要技术意义的固态材料的组成和结构提供了新的机会。这些能力产生了对新型固态材料的设计、开发和工程至关重要的新见解，有望产生深远的社会或工业影响。正在研究的具体材料和应用包括高性能和低碳足迹水泥，用于将生物燃料和天然气转化为高价值液体产品的催化剂，用于太阳能转换的有机光伏薄膜和纳米半导体，用于电化学发电和储存的电池和燃料电池材料，以及用于可持续结构材料的生物无机固体。学生对最先进的DNP-核磁共振仪器的使用和理解有助于他们在化学、物理、材料和生物科学方面的教育和培训。分析和应用提供跨学科的培训，使学生做好准备，在最广泛的条件下解决不断变化的能源、环境和社会的其他需求。其他地区、国家和国际大学的研究人员独立或协作访问集成的DNP-核磁共振光谱仪，将该仪器的用户基础和优势扩展到UCSB以外，特别是加州大学伯克利分校、加州大学欧文分校、加州大学洛杉矶分校、加州大学河滨分校和加州大学保利分校的地区合作伙伴小组。技术：DNP-核磁共振仪器提供了前所未有的高信号灵敏度和高光谱分辨率的组合，用于测量分子表面物种，这些物种支配着材料在广泛的能源、结构和环境应用中的功能。改善这类材料性能的关键问题和挑战之一是常规方法灵敏度不足，包括核磁共振，特别是在检测稀释物或表面物种时。集成的DNP-核磁共振测量提供了显著的2个数量级的核磁共振信号增强，与以前最先进的能力相比，可节省高达4个数量级的时间。DNP-核磁共振仪器代表了分子表征方面的一项突破，为表征和理解多相功能固体打开了新的机会。研究的范围和目标主要包括在工业相关条件下合成的具有工业相关成分的材料，和/或具有低表面积或稀薄或低自然丰度物种的材料(例如，13C、15N、29Si、77Se)。由此产生的DNP-核磁共振谱和分析在技术文献中是史无前例的，并且首次能够在分子水平上表征材料表面的复杂成分和结构，而这些到目前为止通过传统的高场核磁共振谱是完全不可行的。这种固态DNP-核磁共振能力有望使材料和化学科学取得广泛和革命性的进步，并成为复杂多相材料分子表征的标准，这些材料的表面功能对其性质至关重要，但其分子起源以前一直非常难以确定。