MRI: Acquisition of a Dual Transmission X-ray Diffractometer (DTXRD) for Studying the Local and Bulk Structure of Soft and Hard Materials under In situ and Operando Conditions

这项重大研究仪器(MRI)奖支持购买双透射式X射线衍射仪(DTXRD)，使研究人员能够研究材料是如何形成的，它们的原子是如何排列的，以及如何操纵和设计它们。这些亚纳米(十亿分之一米)构建块的排列决定了材料特性和在不同环境中的行为。因此，了解它们的结构是材料发现和设计的强大工具，可以解锁下一代电池、传感器、磁体、电子、催化剂、聚合物和量子材料。该仪器使亚利桑那州立大学(ASU)广泛学科(化学、生物化学、地球/行星和材料科学、物理、机械、化学和电气工程)的研究人员受益。DTX射线能进一步深入了解原子的局部和远程排列如何随外部参数(不同的温度、气体、电场/电化学场)而演变，并揭示新型材料的合成形成机制。因此，该仪器允许进行关键材料研究，这是创新的关键，并导致未来的技术发展。这不仅影响了多个学科，还进一步超越了全美的学术机构，包括学生研究机会有限的大学和行业合作伙伴。DTXRD通过实践培训和研究活动，以及关于结晶学和材料合成的在线课程，为学生提供独特而强大的学习体验，创造了一支丰富了从能源和信息技术到包装和废物管理等许多不同行业的劳动力队伍。此外，以研讨会、讲座和可访问的社交媒体内容的形式进行的公共宣传促进了材料科学的广泛领域，并促进了科学交流和联网。DTX射线衍射仪结合了两个独立但同时可操作的系统，从而能够：(I)利用传输几何图形中的铜(Cu)或钼(Mo)辐射进行X射线衍射测量(最大限度地提高数据质量，尤其是层状和二维材料)，可以在毛细管内(最适合于空气敏感化合物)和以自动化方式(多达30个样品)执行；(Ii)全散射实验和使用高能(银(Ag)辐射)的对分布函数分析，以获得晶体以及低和非晶体物种的局部结构信息，包括反应室和可变温度能力(40-1800K和气体气氛)。高能辐射还使带有硬币和邮袋电池支架的电化学设备的操作符透射式衍射测量成为可能。DTX射线用于三个一般领域的研究项目：(1)了解层状、低晶体、非晶态或非晶态和低维材料的局部结构和开发新的合成反应途径；(2)从机理上理解可再生能源/催化应用的材料；(3)在量子科学和工程中发现新的量子相。这些广泛研究领域的首要目标是深入了解各种物种(从固态电池和磁性材料到矿物和有机物/聚合物)的结构，它们的形成机制，以及它们对外部刺激(包括它们的潜在降解和失效)的反应行为。这些知识对于理解和设计用于电化学能源、半导体、催化和量子计算应用的下一代材料至关重要。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

This Major Research Instrumentation (MRI) award supports the acquisition of a dual transmission X-ray diffractometer (DTXRD) that allows researchers to study how materials form, how their atoms are arranged, and how they can be manipulated and engineered. The arrangement of these sub-nanometer ( 1 billionth of a meter) building blocks determines the materials properties and behavior in varying environments. Consequentially, understanding their structure is a powerful tool for materials discovery and design to unlock next-generation batteries, sensors, magnets, electronics, catalysts, polymers, and quantum materials. The instrument benefits researchers across a wide range of disciplines (chemistry, biochemistry, earth/planetary and materials science, physics, mechanical, chemical, and electrical engineering) at Arizona State University (ASU). The DTXRD further enables fundamental insights into how the local and long-range arrangement of atoms evolve in response to external parameters (different temperatures, gas, electrical/electrochemical fields) and reveals synthetic formation mechanisms of novel materials. Hence, the instrument allows for crucial materials research that is key for innovation and leads to future technology development. This has an impact not only across multiple disciplines but also transcending further to US-wide academic institutions, including universities with limited research opportunities for students, and industrial partners. The DTXRD provides a unique and powerful learning experience for students through hands-on training and research activities, as well as online courses on crystallography and materials synthesis, creating a workforce that enriches many different industrial sectors ranging from energy and information technology to packaging and waste management. Additionally, public outreach in the form of workshops, lectures, and accessible social media content promote the broad area of materials science and facilitate science communication and networking. The DTXRD combines two independent and simultaneously operable systems to enable: (i) X-ray diffraction measurements with copper (Cu) or molybdenum (Mo) radiation in transmission geometry (maximizing data quality, especially for layered and 2D materials) that can be performed in capillaries (ideal for air-sensitive compounds) and in an automated way (up to 30 samples), and (ii) Total scattering experiments and pair distribution function analysis using high energy (silver (Ag) radiation) for local structure information of crystalline as well as low- and non-crystalline species, including a reaction chamber and variable temperature capabilities (40 - 1,800 K and gas atmosphere). The high energy radiation also enables operando transmission diffraction measurements of electrochemical devices with coin and pouch cell holders. The DTXRD is used for research projects in three general areas: (1) Understanding the local structure and developing new synthetic reaction pathways for layered, low crystalline, non-crystalline or amorphous, and low-dimensional materials; (2) Mechanistic understanding of materials for renewable energy/catalysis applications; (3) Discovery of new quantum phases in quantum sciences and engineering. The overarching goal within these broad research fields is to develop a deep understanding of the structure of diverse species (ranging from solid-state battery and magnetic materials to minerals and organics/polymers), their formation mechanisms, and their behavior in response to external stimuli (including their potential degradation and failure). This knowledge is crucial for the understanding and design of next generation materials for electrochemical energy, semiconductor, catalysis, and quantum computing applications.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.