Defects induce phase transition from dynamic to static rippling in graphene

• DOI: 10.1073/pnas.2416932122
• Publication Date: 2025-02-28T20:34:48Z
• Authors: Fabian L. Thiemann; Camille Scalliet; Erich A. Müller; Angelos Michaelides
• Keywords: Rippling

Two-dimensional (2D) materials display nanoscale dynamic ripples that significantly impact their properties. Defects within the crystal lattice are elementary building blocks to tailor material’s morphology. While some studies have explored link between defective structures and rippling dynamics in 2D materials, a comprehensive understanding of this relationship has yet be achieved. Here, we address using machine learning-driven molecular simulations. Specifically, find above critical concentration defects, free-standing graphene sheets undergo transition from freely propagating static ripples. Our computational approach captures with atomic resolution, reveals is driven by elastic interactions defects. The strength these found vary across defect types identify unifying set principles driving dynamic-to-static materials. work not only rationalizes puzzling experimental results for but also paves way design two-dimensional devices tailored dynamics. These insights could lay foundations class disorder-based catalytic interfacial