Exploring the Potential of Clay Minerals and MXenes for Biomedical Applications: A First-Principles Study of 2D Hybrid Materialson

The search for innovative biomedical materials has driven growing interest in two-dimensional (2D) materials due to their exceptional properties and versatility. Among these, clay minerals and MXenes stand out as promising candidates, offering distinct structural and functional features suitable for bioapplications. In this study, we use first-principles calculations to investigate the chemistry, structural properties, and biomedical potential of clay minerals, MXenes, and their heterostructures. Our focus includes the interactions between various amino acids and clay minerals or MXenes with different surface terminations, aiming to create nanocomposite biomaterials with enhanced performance. By comparing the unique features of clay minerals and MXenes, we explore their roles in hybrid materials and the potential synergistic property enhancements from heterostructure formation. This research aims to uncover new opportunities for applying these advanced 2D materials in the biomedical field, particularly in areas such as tissue engineering, where their unique properties hold promise for significant advancements.