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CAREER: Towards a Paradigm of Molecular-Level Control of Solid-State Chemistry

职业生涯：迈向固态化学分子水平控制的范式

基本信息

批准号：
1653863
负责人：
James Neilson
金额：
$ 52万
依托单位：
Colorado State University
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2017
资助国家：
美国
起止时间：
2017-07-01 至 2022-06-30
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1653863&HistoricalAwards=false
关键词：
CAREER Towards Paradigm Molecular Level

项目摘要

Non-Technical AbstractThis project will pursue innovative approaches to design and synthesize new materials; the discovery of inorganic solids with novel properties can bring solutions to various societal challenges. A paradigm of materials design would serve to transform the way in which we create and use novel materials. One could predict, and then create, an atomistic structure that gives rise to the desired properties. However, this targeted design of functional materials remains to be a difficult task. This project will study the science of synthesis by understanding and modifying the pathways through which materials are formed chemically. This fundamental research has the additional potential to discover new chemical transformations that can be exploited for efficient energy conversion and storage. Materials chemistry education is an important ingredient for a Science, Technology, Engineering, and Mathematics (STEM) skilled workforce. However, general chemical education often centers on molecular structures. This project will create STEM education kits that engage K-12 students with materials chemistry while aligning with K-12 State Science Standards. The outreach activities will be partnered with a Research Experience for Preservice Teachers program to improve the kit implementation and to provide teachers with experience in scientific research.Technical AbstractIn contrast to the synthesis of organic molecules, the rational design of chemical reactions that yield extended inorganic materials remains a long-standing problem. This CAREER project provides a systematic approach to this problem and seeks to create metastable inorganic oxides, chalcogenides and pnictides by understanding and altering synthesis pathways at the molecular level. The project primarily studies how solid-state metathesis reactions take place and strives to invent approaches to selectively alter their pathways. Solid-state chemical reactions are often limited by solid-state diffusion, which precludes any notion of selective bond breaking/making as needed to engender kinetic control in solid-state chemistry. This project approaches this challenge using small molecules to circumvent diffusion rate-limiting steps in solid-state reactions. The fundamental mechanistic studies are enabled using in situ X-ray and neutron scattering methods, including total scattering and pair distribution function analysis. The knowledge that will be gained in this research has potential to discover new and metastable functional materials, be it solar cells with low defect concentrations, battery electrodes that enable reversible modification, or hierarchically-structured catalysts and hosts. These efforts are closely integrated with education through the creation of K-12 STEM education kits and the active participation of pre-service teachers in the discovery and synthesis of functional materials.

非技术摘要该项目将追求创新的方法来设计和合成新材料;发现具有新特性的无机固体可以为各种社会挑战带来解决方案。材料设计的范例将有助于改变我们创造和使用新材料的方式。人们可以预测，然后创造出一种原子结构，产生所需的性质。然而，这种有针对性的功能材料设计仍然是一项艰巨的任务。该项目将通过理解和修改材料化学形成的途径来研究合成科学。这项基础研究具有发现新的化学转化的额外潜力，可用于有效的能量转换和储存。材料化学教育是科学，技术，工程和数学（STEM）熟练劳动力的重要组成部分。然而，普通化学教育通常集中在分子结构上。该项目将创建STEM教育套件，让K-12学生参与材料化学，同时与K-12国家科学标准保持一致。外展活动将与研究经验的预备教师计划，以改善工具包的实施，并为教师提供科学research.Technical AbstractionIn对比的有机分子的合成，合理设计的化学反应，产生扩展的无机材料仍然是一个长期存在的问题。这个CAREER项目提供了一个系统的方法来解决这个问题，并试图通过理解和改变分子水平上的合成途径来创造亚稳态无机氧化物，硫属化物和磷属化物。该项目主要研究固态复分解反应如何发生，并努力发明选择性改变其途径的方法。固态化学反应通常受到固态扩散的限制，这排除了在固态化学中产生动力学控制所需的选择性键断裂/键形成的任何概念。该项目使用小分子来规避固态反应中的扩散速率限制步骤来应对这一挑战。的基本机制的研究，使使用原位X射线和中子散射方法，包括总散射和对分布函数分析。在这项研究中获得的知识有可能发现新的亚稳态功能材料，无论是具有低缺陷浓度的太阳能电池，能够可逆修饰的电池电极，还是分层结构的催化剂和宿主。这些努力通过创建K-12 STEM教育包和职前教师积极参与功能材料的发现和合成与教育紧密结合。

项目成果

期刊论文数量（7）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Bulk Synthesis, Structure, and Electronic Properties of Magnesium Zirconium Nitride Solid Solutions

氮化锆镁固溶体的本体合成、结构和电子性能

DOI：
10.1021/acs.chemmater.1c01450
发表时间：
2021
期刊：
Chemistry of Materials
影响因子：
8.6
作者：
Rom, Christopher L.;Fallon, M. Jewels;Wustrow, Allison;Prieto, Amy L.;Neilson, James R.
通讯作者：
Neilson, James R.

Catalytic behavior of hexaphenyldisiloxane in the synthesis of pyrite FeS 2

六苯基二硅氧烷合成黄铁矿 FeS 2 的催化行为