Instrument Development: In Operando Capability for Benchtop X-ray Emission Spectroscopy

仪器开发：台式 X 射线发射光谱的操作能力

• 批准号: 1904437
• 负责人: Gerald Seidler
• 金额: $ 37.7万
• 依托单位: University of Washington
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-09-15 至 2023-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1904437&HistoricalAwards=false
• 关键词: Instrument; Development; Operando; Capability; Benchtop

With support from the Chemical Measurement & Imaging program, and partial co-funding from the Chemical Catalysis program, Professors Seidler and Cossairt of the University of Washington are working to develop a new x-ray spectrometer to enable studies of chemical systems in special sample environments. Specifically, they are developing analysis tools for characterization of materials actively involved in chemical reactions, such as during the synthesis of fuels from simple and abundant starting chemical species like water and carbon dioxide. Their work will greatly expand access to x-ray spectrometry by providing alternatives to specialized, large-scale light sources known as synchrotrons. Significant educational benefits derive from creating a multidisciplinary environment for the students involved and by incorporating advanced x-ray spectroscopy into senior-level laboratory courses in both Physics and Chemistry at the University of Washington.X-ray absorption fine structure (XAFS) and high-resolution x-ray emission spectroscopy (XES) are two advanced x-ray spectroscopies that have high impact across chemistry, materials science, environmental science, geophysics, and several other fields. However, their range of application is constrained by their general reliance on synchrotron x-ray light sources. Professors Seidler and Cossairt are developing a new lab-based spectrometer and source that can easily couple to special sample environments, such as an electrocatalytic cell. By enabling operando XES in the laboratory, this will pave the way for real-time studies of element-specific electronic structure of reactants and intermediates in many different types of chemical reactions, without a need for synchrotron beamtime. Information gained from these operando studies will provide new insight into the nature of element speciation during electrocatalytic processes, providing deeper knowledge of the mechanisms by which fuel-forming reactions occur and how catalytic sites might be altered to improve reaction trajectories in the future.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.

在化学测量成像计划的支持下，以及化学催化计划的部分共同资助下，华盛顿大学的Seidler和Cossairt教授正在努力开发一种新的X射线光谱仪，以便在特殊样品环境中研究化学系统。 具体来说，他们正在开发分析工具，用于表征积极参与化学反应的材料，例如在从简单而丰富的起始化学物质（如水和二氧化碳）合成燃料的过程中。 他们的工作将通过提供被称为同步加速器的专用大规模光源的替代品来大大扩展X射线光谱法的使用。 显著的教育效益来自于为参与的学生创造一个多学科的环境，并将先进的X射线光谱学纳入华盛顿大学的物理和化学高级实验室课程。X射线吸收精细结构（XAFS）和高分辨率X射线发射光谱（XES）是两种先进的X射线光谱学，在化学，材料科学，环境科学、生物物理学和其他几个领域。 然而，它们的应用范围受到它们对同步加速器X射线光源的普遍依赖的限制。 Seidler和Cossairt教授正在开发一种新的实验室光谱仪和光源，可以很容易地耦合到特殊的样品环境，如电催化电池。 通过在实验室中启用operando XES，这将为实时研究许多不同类型化学反应中反应物和中间体的元素特定电子结构铺平道路，而无需同步加速器光束时间。 从这些操作性研究中获得的信息将为电催化过程中元素形态的性质提供新的见解，更深入地了解燃料-该奖项反映了NSF的法定使命，并被认为值得通过使用基金会的智力价值和更广泛的评估来支持。影响审查标准。

项目成果

Unsupervised machine learning for unbiased chemical classification in X-ray absorption spectroscopy and X-ray emission spectroscopy

用于 X 射线吸收光谱和 X 射线发射光谱中无偏差化学分类的无监督机器学习

• DOI: 10.1039/d1cp02903g
• 发表时间: 2021
• 期刊: Physical Chemistry Chemical Physics
• 影响因子: 3.3
• 作者: Tetef, Samantha;Govind, Niranjan;Seidler, Gerald T.
• 通讯作者: Seidler, Gerald T.

Spherically bent mica analyzers as universal dispersing elements for X‐ray spectroscopy

• DOI: 10.1002/xrs.3143
• 发表时间: 2020-03
• 期刊: X-Ray Spectrometry
• 影响因子: 1.2
• 作者: E. S. Joseph;Evan P. Jahrman;G. Seidler

A laboratory X-ray emission spectrometer for phosphorus Kα and Kβ study of air-sensitive samples

实验室 X 射线发射光谱仪，用于空气敏感样品的磷 Kα 和 Kβ 研究

• DOI: 10.1039/d3ja00053b
• 发表时间: 2023
• 期刊: Journal of Analytical Atomic Spectrometry
• 影响因子: 3.4
• 作者: Abramson, Jared E.;Holden, William M.;Rivera-Maldonado, Ricardo A.;Velian, Alexandra;Cossairt, Brandi M.;Seidler, Gerald T.
• 通讯作者: Seidler, Gerald T.

Informed Chemical Classification of Organophosphorus Compounds via Unsupervised Machine Learning of X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy

• DOI: 10.1021/acs.jpca.2c03635
• 发表时间: 2022-07-15
• 期刊: JOURNAL OF PHYSICAL CHEMISTRY A
• 影响因子: 2.9
• 作者: Tetef, Samantha;Kashyap, Vikram;Seidler, Gerald T.
• 通讯作者: Seidler, Gerald T.