NSF Award
2422570
Non-technical Abstract<br/><br/>With support from the Solid-State and Materials Chemistry Program in the Division of Materials Research, Professor Joaquin Rodriguez Lopez's group at the University of Illinois Urbana-Champaign and Professor Jose Luis Mendoza's group at Michigan State University are developing new methods to enhance the stability and performance of dual-ion batteries (DIBs). These batteries, which utilize carbon electrodes to reversibly insert anions and cations, offer promising advantages due to their ability to achieve high voltages (up to 5V), their potential to eliminate the need for critical minerals, and their relative cost-effectiveness and sustainable sourcing. However, their performance is hindered by chemical and mechanical degradation, which can limit their competitiveness compared to current lithium-ion batteries. The research addresses these issues by modifying the surfaces of graphitic carbons to promote the formation of protective interfaces that facilitate ion insertion while suppressing harmful side reactions. By experimenting with the thickness and characteristics of graphite electrodes, the types of molecules used for modification, and through computational simulations to understand the insertion sites, the team gains a comprehensive understanding of the energy storage mechanisms in these DIBs. This project aligns with NSF's mission by advancing scientific knowledge and contributing to national prosperity through improved energy technologies. Additionally, it integrates concepts of battery science, surface science, spectroscopy, and computational simulations into an educational and outreach plan that provides learning opportunities in renewable energy science for graduate students, local undergraduates, and K-12 Hispanic students.<br/><br/><br/>Technical Abstract<br/><br/>With this project, supported through the Solid State and Materials Chemistry Program in the Division of Materials Research, researchers at the University of Illinois Urbana-Champaign and at Michigan State University address interfacial dysfunction as a critical issue limiting the performance of DIB cathodes. They investigate the formation of passivated artificial graphene-electrolyte interphases (GEIs) as a promising strategy. Functional GEIs in this project are created through systematic surface modification of graphitic electrodes using heteroatom substitution, grafted molecules, and surface-modifying polymers. While extensive literature exists on anion intercalation in graphitic materials, this project's approach using ultra-thin electrodes (ranging from ~1 nm to ~100 nm) helps bring to light interfacial degradation processes, offering timely diagnostic capabilities. Utilizing techniques such as surface-enhanced infrared spectroscopy and scanning electrochemical microscopy, the research correlates real-time passivation processes of electrodes with interfacial molecular details to gain mechanistic insights. Advanced computational simulation methods, including hybrid-density functional theory, ab initio molecular dynamics, nudged elastic band method, and reactive molecular dynamics, provide detailed information on the thermodynamic and kinetic aspects of anion intercalation on graphene electrodes and their modified surfaces. The demand for high-performance energy storage to support rapidly growing renewable energy technologies requires durable, safe, and cost-effective batteries. Materials developed as part of this project can contribute to a transition beyond current lithium-ion battery technologies.<br/><br/>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.
