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

Colorado State University, Fort Collins CO

Investigators

Abstract

Non-Technical Abstract This 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 Abstract In 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.