CAREER: SusChEM: Structure-property relationships in bi-functional battery materials

Michigan State University, East Lansing MI

Investigators

Abstract

NON-TECHNICAL DESCRIPTION: While lithium-ion batteries have been the dominant power sources for portable electronics, their large-scale applications in the transportation and stationary markets are likely to be hindered by the limited lithium abundance. On the other hand, the element sodium is more than 1000 times more abundant than lithium and sodium resources are considered adequate nationally and internationally. Development of sodium-based battery chemistry is essential in ensuring a sustainable energy future for human kind. This CAREER project studies the structure-property relationships of a unique family of bi-functional (as either cathode or anode) sodium electrode materials, in order to shed light on the fundamental mechanisms that could lead to enhanced materials performance and rational design and discovery of new materials. This project also enables a museum exhibition named "Batteries: Powering the Past, Present, and Future" to raise awareness and inspire interests of the public in the science and engineering principles of ubiquitous battery devices in our daily lives. TECHNICAL DETAILS: Sodium nickel titanates are a unique family of materials that can function either as anode or cathode due to coexistence of both high and low redox-potential transition metals. However, the structure-property relationship of these materials remains elusive. This project seeks to develop a fundamental understanding of the atomic and electronic structures and their effects on the ionic and electronic conductivity of model materials in the sodium nickel titanate family. Through an integrated experimental and computational approach combining neutron/X-ray scattering probes, atomistic simulation, and electrical property measurement, the project studies the local distribution, migration pathways, and ionic conductivity of sodium atoms, as well as the local electron distribution and its effect on the electronic conductivity. Knowledge garnered from this work has an immediate impact on this family of technologically important and scientifically intriguing materials, and also helps to shed light on the structure-property relationships in general mixed ionic-electronic conductors, thus leading to rational design and discovery of new materials with superior performance.