Computational evaluation of structural and chemical possibilities exposed by Ti2CTx nanoribbons and 2D-nanoparticles

C MXene. Notably, our study identifies the {010} and {110} edges as highly active catalytic sites under specific conditions, emphasizing the role of edge under-coordination in dictating catalytic behavior. These results underscore the potential of MXene edges for tailoring properties beyond the basal plane, providing pathways for designing next-generation materials for catalysis, energy, and environmental applications.