[1PS-140]
우수논문발표상 응모자Theoretical Study on Enhancing the Stability of Two-Dimensional Nanomaterials through Aqueous Processing
발표자이성원 (경상국립대학교)
연구책임자이태경 (경상국립대학교)
Abstract
MXenes have emerged as promising 2D nanomaterials for energy storage and related applications. However, their expanded utilization is still limited by challenges in developing environmentally sustainable synthesis methods. In this study, we investigated an aqueous method that enabled efficient delamination of layered nanosheets while enhancing their structural integrity. This process replaced conventional intercalants and produced uniform and thin flakes with well-preserved morphology. To understand the role of water in structural and chemical stability, we performed density functional theory calculations. Our results showed that water molecules promoted interlayer stabilization through favorable surface interactions and hydrogen bonding. In addition, surface reactions associated with oxidative degradation were thermodynamically less favorable under aqueous conditions. Our study provides theoretical insights into stabilizing strategies for the scalable processing of 2D nanomaterials.