Defining Reaction Paths for Chalcogenide Materials Discovery

新材料的使用对社会进步至关重要，固态材料对现代经济至关重要。该项目由美国国家科学基金会材料研究部固态与材料化学项目支持，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族化合物的化学，这在各种科学研究和技术中都很重要。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族化合物的反应，以避免已知材料，并研究它们的晶体结构、物理性质和潜在的技术影响。这项研究挑战并加强了对化学领域的科学理解，改善了现有的技术应用，同时影响了新的技术应用。例如，这项研究导致了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材料的发现。该项目还显著影响了固态和材料合成专业研究生的训练、解决问题的能力和教学方法。它有助于培养有能力的劳动力，理解新材料作为尖端科学技术催化剂的作用。此外，该项目为研究生和本科生提供了一系列机会，特别是那些来自代表性不足的社区的学生，以获得批判性思维技能，这将推动未来的科学研究。该项目由美国国家科学基金会材料研究部固态和材料化学计划支持，旨在解决工具，概念和反应路径的发展，包括智力和实验，以合理制备新材料。它围绕着基础科学问题：(a)能否通过找到合适的反应路径来设计新的半导体？(b)通量和非通量反应研究的见解是否有助于目标合成？(c)是否可以将不同的反应路径归类为通用的合成方法？(d)硫属化合物的不同基序是否会导致性能的增强？迄今为止，这项研究所追求的新方向已被证明是非常具有挑战性的。例如，通过a)填充亚里斯多德型结构（换句话说，通过在具有某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。亚里士多德型是一种高对称的晶体结构类型，可以看作是低对称结构的理想版本),b)在扩展结构中稳定新型碲金属酸盐构建块，c)利用一种新的通量以合理的方式合成混合阴离子化合物氧-硫族化合物。这些方面代表了硫族固体化学的前沿。他们与首席研究员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，发现具有吸引人的物理和化学性质和潜在应用的新材料，以及导致新的硫属化合物的反应途径的新知识。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

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.