Uncovering Molecular Crowding Effects for Rational Design of Electrolytes in Zinc-Ion Batteries

About This Grant

Zinc-ion batteries offer a promising alternative to lithium-based systems for large-scale or grid-scale energy storage owing to their safety, low cost, and use of abundant materials. However, key challenges such as zinc dendrite growth, electrode degradation, and limited electrolyte stability hinder their widespread application. This project introduces a novel approach to electrolyte design by exploring the effects of molecular crowding, a concept drawn from biological systems, to engineer zinc-ion electrolytes with enhanced performance. By altering the structure and transport behavior of the dissolved zinc ions in the electrolyte using large, non-reactive crowding agents, the research aims to suppress unwanted reactions and improve battery efficiency and longevity. The project will integrate research findings into teaching and outreach, including hands-on training for undergraduate and graduate students, virtual battery lab development using Minecraft for STEM education, and mentoring through programs such as community college partnerships. These efforts will contribute to building a skilled energy workforce while promoting public understanding of electrochemical energy storage. The project will establish a mechanistic understanding of how molecular crowding affects zinc-ion solvation, interfacial behavior, and electrochemical performance in aqueous battery systems. By introducing non-reactive crowding agents into the electrolyte, the research seeks to tune water activity, ion pairing, and interfacial dynamics in order to suppress side reactions and improve battery reversibility and longevity. The project will: (1) investigate how the chemistry and concentration of crowding agents and zinc salts modulate Zn2+ solvation shells, ion association, and transport in bulk electrolytes; (2) study the evolution of interfacial solvation structures and zinc deposition behavior under electrochemical conditions using in-situ Raman, FTIR, and synchrotron-based scattering techniques; and (3) evaluate the electrochemical stability and compatibility of molecularly crowded electrolytes with high-voltage cathodes in full-cell systems. The research integrates spectroscopy, electrochemical testing, synchrotron X-ray scattering (SAXS, PDF), and molecular dynamics simulations to establish composition-structure-property relationships. The resulting knowledge will enable rational electrolyte design for advanced zinc-ion batteries and provide transferable insights applicable to other multivalent and aqueous electrochemical energy storage systems. 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.