Defining Reaction Paths for Chalcogenide Materials Discovery

定义硫族化物材料发现的反应路径

• 批准号: 2305731
• 负责人: Mercouri Kanatzidis
• 金额: $ 56.4万
• 依托单位: Northwestern University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2023
• 资助国家: 美国
• 起止时间: 2023-09-15 至 2026-08-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2305731&HistoricalAwards=false
• 关键词: Defining; Reaction; Paths; Chalcogenide; Materials

PART 1: NON-TECHNICAL SUMMARYThe use of new materials is essential for societal advancement, and solid state materials are critical to the modern economy. With this project, supported by the Solid State and Materials Chemistry Program in NSF’s Division of Materials Research, the principal investigator and his research group develop fundamental principles of synthesis and apply them to the chemistry of metal chalcogenides, which are important in various scientific investigations and technologies. Thereby they pursue challenging new directions, discover and synthesize new materials. The project focuses on controlling reactions leading to solid state chalcogenides to avoid known materials and studying their crystal structure, physical properties, and potential technological impact. This research challenges and enhances scientific understanding in this field of chemistry and improves existing technological applications while impacting new ones. For example, the reseach leads to the discovery of new atomic arrangements and novel semiconductors, quantum materials, and ion-exchange sorbent materials for environmental remediation. The project also significantly impacts the training, problem-solving abilities, and pedagogy of graduate students specializing in solid-state and materials synthesis. It aids in developing a competent workforce that comprehends the role of novel materials as catalysts for cutting-edge science and technology. Moreover, the project presents a range of opportunities for graduate and undergraduate students, particularly those from underrepresented communities, to acquire critical thinking skills that will advance scientific research in the future. PART 2: TECHNICAL SUMMARYThe project, supported by the Solid State and Materials Chemistry Program in NSF’s Division of Materials Research, addresses the development of tools, concepts, and reaction paths, both intellectual and experimental, to prepare new materials rationally. It is centered around fundamental science questions: (a) Can new semiconductors be designed by finding proper reaction paths? (b) Can insights from flux and non-flux reaction studies aid targeted synthesis? (c) Can distinct reaction paths be categorized for generalized synthetic methodologies? (d) Can chalcogenides' diverse motifs lead to enhanced properties? The research pursues new directions that have proven very challenging to date. For example, the pursuit of new phases by a) stuffing aristotype structures (in other words, to create new materials by inserting extra atoms in compounds possessing some of the most common structure types. Aristotype is a high-symmetry crystallographic structure type that can be viewed as an idealized version of a lower-symmetry structure), b) stabilizing novel tellurometallate building blocks in extended structures, c) developing synthesis of mixed anion compounds oxy-chalcogenides in a rational manner using a new kind of flux. These aspects represent the cutting edge of chalcogenide solid-state chemistry. They align with the principal investigator’s ongoing interest in novel physical properties of new compounds beyond mere structural characterizations. The benefits of a successful project are broad insights advancing the cutting edge of solid state and materials chemistry, the discovery of novel materials with attractive physical and chemical properties and potential applications, and new knowledge of reaction paths leading to new chalcogenides.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.

第一部分： 新材料的使用对社会进步至关重要，而固态材料对现代经济至关重要。通过这个项目，在NSF材料研究部门的固态和材料化学计划的支持下，首席研究员和他的研究小组开发了合成的基本原理，并将其应用于金属硫属化物的化学，这在各种科学研究和技术中非常重要。因此，他们追求具有挑战性的新方向，发现和合成新材料。该项目的重点是控制导致固态硫属化物的反应，以避免已知材料，并研究其晶体结构，物理特性和潜在的技术影响。这项研究挑战并增强了对化学这一领域的科学理解，并在影响新技术的同时改善了现有的技术应用。例如，研究导致发现新的原子排列和新的半导体，量子材料和用于环境修复的离子交换吸附剂材料。该项目还显着影响的培训，解决问题的能力，以及专业研究生的教学固态和材料合成。它有助于培养一支有能力的劳动力队伍，使新材料成为尖端科学和技术的催化剂。此外，该项目为研究生和本科生，特别是来自代表性不足社区的学生提供了一系列机会，以获得批判性思维技能，从而推动未来的科学研究。第二部分： 该项目由NSF材料研究部门的固态和材料化学计划支持，致力于开发工具，概念和反应路径，包括智力和实验，以合理地制备新材料。 它围绕着基本的科学问题：（a）新的半导体可以通过找到合适的反应路径来设计吗？(b)通量和非通量反应研究的见解是否有助于靶向合成？(c)不同的反应路径可以被分类为广义的合成方法吗？(d)硫族化合物的多样性能提高性能吗？这项研究追求新的方向，迄今为止已经证明非常具有挑战性。例如，通过a）填充亚里士多德结构（换句话说，通过在具有一些最常见结构类型的化合物中插入额外的原子来创造新材料）来追求新相。碲金属酸盐型是一种高对称性晶体结构类型，其可以被视为较低对称性结构的理想化版本），B）在扩展结构中稳定新的碲金属酸盐结构单元，c）使用新型助熔剂以合理的方式开发混合阴离子化合物氧硫属化物的合成。这些方面代表了硫属化物固态化学的前沿。它们与主要研究者对新化合物的新物理性质的持续兴趣一致，而不仅仅是结构表征。一个成功的项目的好处是广泛的见解推进固态和材料化学的前沿，发现具有吸引力的物理和化学性质和潜在应用的新材料，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影响审查进行评估来支持的搜索.