Determination Structure-Chemistry-Performance Relationships in Two-Dimensional Membranes

Two-dimensional (2D) materials such as graphene oxide have emerged as a promising platform for next-generation membrane technologies due to their unique lamellar architecture, tunable chemistry, and exceptional separation performance. However, the transport properties reported for 2D-material-based membranes vary by several orders of magnitude, even for membranes fabricated from similar materials. This variability highlights the need for a deeper understanding of how membrane microstructure governs mass transport.

Our research focuses on establishing fundamental relationships between the chemical composition, microstructure, and transport properties of two-dimensional membranes. Particular attention is devoted to the role of interlayer spacing, nanoflake dimensions, surface chemistry, and membrane tortuosity in controlling the diffusion of water, ions, and organic molecules through lamellar nanochannels.

A key aspect of this work is the investigation of dynamic interactions between graphene oxide and permeating species. Adsorption, electrostatic interactions, and swelling can significantly alter the membrane structure during operation, leading to changes in channel dimensions and transport pathways. Using advanced synchrotron-based characterization techniques, in situ diffraction methods, and membrane transport experiments, we directly monitor structural evolution during permeation and correlate these changes with membrane performance.

By combining experimental studies with transport modeling and data-driven analysis, we aim to identify universal descriptors governing permeation in 2D membranes. This knowledge provides a foundation for the rational design of membrane materials with predictable performance and improved efficiency in water purification, resource recovery, and molecular separations.