Materials World Network, SusChEM: Control of Interfacial Chemistry in Reactive Nanolaminates (CIREN)

技术摘要这个由材料研究部资助的美国/法国合作项目将专注于一类新型可持续反应性复合纳米层压材料的基础研究，这些纳米层压材料含有金属（通常是铝）和金属氧化物（通常是氧化铜，氧化铁（III）和氧化锌）。 这些材料在高能材料界引起了极大的兴趣，因为它们的特征在于高能量和功率密度（比超级电容器上级），并且是低成本和安全的，可用于微热源、微致动器和用于环境清洁底漆的使能器、微型安全雷管、原位焊接和钎焊，以及化学中和剂。 然而，界面在这些反应性层状纳米结构的合成和利用过程中起着关键作用。界面层的形成不仅知之甚少，而且目前还无法控制。对这些铝/金属氧化物界面层的形成和作用的基本理解不仅会带来对这些系统的控制，而且对该领域的基本和实际进展也具有变革性。该项目旨在通过将原位光谱和成像与各种沉积方法的密度泛函理论计算相结合，对铝/金属氧化物之间的界面形成过程进行原子级理解。为此，模型表面和原子精确的沉积方法（例如原子层沉积）将用于获得详细的原子信息，结合纳米图案化工艺，以量化界面层对反应动力学和低温稳定性的贡献。沉积/合成问题，特别是与高活性材料的发展，结合广泛的和独特的原位表征方法的新的理论方法被解开。 热表征技术、燃烧试验、高分辨率成像和X射线衍射将用于定量评估这些界面在操作条件下的作用。该项目是理解反应异质结构中界面作用的第一步。铝、铜、铁和锌都是广泛可获得和可回收的资源，也是微电子领域的常用材料。因此，这些铝/金属氧化物纳米层压材料是可持续的，完全安全，对环境和人类健康无毒，不需要有害物质，也不释放污染化学品。社会、环境和经济效益是显而易见的，因为这些纳米材料和纳米结构将有助于减少许多危险和污染性高能材料（例如含有铅盐或使用污染性化学合成）的使用。非技术总结：反应性材料对国防和能源至关重要。超薄层的反应性材料，称为反应性复合纳米层压材料（例如，铝和铜的氧化物），已经吸引了极大的兴趣，在高能材料社区，因为它们的特点是高能量和功率密度，低成本和安全，用于微型热源，致动器，雷管，和化学中和剂。大多数研究都集中在这些反应性和亚稳态纳米层压材料的结构和热性能之间的关系。然而，接口在其合成和利用过程中发挥着关键作用。接口的本质不仅是知之甚少，而且目前还不受控制。对这些界面层的形成和作用的基本理解不仅会带来对这些系统的控制，而且对能源和国防领域的基本和实际进展具有变革性意义。 通过结合生长，表征和理论研究，该项目提供了基础，对未来定制的反应性纳米结构的设计，通过界面优化使用原子级精确的技术。它建立了反应材料和固态与材料化学领域之间的桥梁。它为学生提供了一个多学科的环境，除了文化交流的好处。在美国和法国，研究课题都集中在教育课程（研究生课程，教程，证书）中。在UT达拉斯，这个项目从事代表性不足的少数民族和妇女研究生，是一个骨干，有针对性的推广范围内更大的达拉斯地区。它支持由UT达拉斯多样性和社区参与办公室开发的现有计划，以及指导和参与研究的本科生的计划，如学术桥梁和路易斯·斯托克斯联盟少数民族参与计划。

Technical SummaryThis US/France collaborative project funded by the Division of Materials Research will focus on fundamental studies of a novel class of sustainable reactive composite nanolaminates containing a metal (commonly aluminum) and metal oxide (commonly copper oxide, iron(III) oxide, and zinc oxide). The materials attracted great interest in the energetic material community since they are characterized by a high energy and power density (superior to supercapacitors), and are low cost and safe, useful for micro-thermal sources, micro-actuators and enablers for environmentally clean primers, miniature safe detonators, in-situ welding and soldering, and also chemical neutralization agents. Yet, interfaces play a critical role during the synthesis and the utilization of these reactive layered nanostructures. The formation of interfacial layers is not only poorly understood but uncontrolled at present. A fundamental understanding of the formation and role of these aluminum/metal-oxide interfacial layers would not only bring control of such systems, but also be transformative for fundamental and practical advances in this field. This project aims at developing an atomic-level understanding of the interface formation process between Aluminum/Metal-oxide by combining in-situ spectroscopy and imaging with Density Functional Theory calculations for a variety of deposition methods. To this end, model surfaces and atomically precise deposition methods (e.g. atomic layer deposition) will be used to derive detailed atomic information, in combination with nanopatterning processes to quantify the contribution of the interfacial layers for both the reaction kinetics and the stability at low temperatures. Deposition/synthesis issues specifically associated with highly reactive materials are unraveled by the development of novel theoretical methods coupled with extensive and unique in situ characterization methods. Thermal characterization techniques combustion tests combined with high resolution imaging and x-ray diffraction will be used to quantitatively evaluate the role of such interfaces in operating conditions. This project constitutes a first step in understanding the role of interfaces in reactive hetero-structures. Aluminum, copper, iron and zinc are all widely available and recyclable resources and common materials in microelectronics. These Aluminum/metal oxide nanolaminates are therefore sustainable, totally safe and not toxic for the environment and human health, requiring no hazardous substances and releasing no pollutant chemicals for their productions. The social, environmental and economic benefits are clear since these nanomaterials and nanostructures will contribute to reducing the use of many dangerous and polluting energetic materials (containing lead salt for example or synthesized using polluting chemistry). NON-TECHNICAL SUMMARY:Reactive materials are critical for defense and energy. Ultra-thin layers of reactive materials, called reactive composite nanolaminates (e.g. aluminum and copper oxide), have attracted great interest in the energetic material community since they are characterized by a high energy and power density and are low cost and safe, useful for miniature thermal sources, actuators, detonators, and chemical neutralization agents. Most investigations have focused on the relationship between the structure and thermal properties of these reactive and metastable nanolaminates. Yet, interfaces play a critical role during their synthesis and utilization. The nature of interfaces is not only poorly understood but uncontrolled at present. A fundamental understanding of the formation and role of these interfacial layers would not only bring control of such systems, but also be transformative for fundamental and practical advances in energy and defense fields. By combining growth, characterization and theoretical studies, this project provides the foundation towards the design of future tailored reactive nanostructures by interface optimization using atomically precise technologies. It establishes a bridge between the fields of reactive materials and solid state and material chemistry. It provides a multidisciplinary environment for the students, besides the benefits of cultural exchange. There is a focused integration of the research topic into educational programs (graduate courses, tutorials, certificates) both in the US and in France. At UT Dallas, this project engages underrepresented minority and women graduate students, and is a backbone for targeted outreach within the greater Dallas area. It supports existing programs developed by the UT Dallas Office of Diversity and Community Engagement, and programs to mentor and engage undergraduates in research such as the Academic Bridge and the Louis Stokes Alliances for Minority Participation programs.