Nanoscale analysis of superhydrophobic and anti-icing biomimetic carbon-modified geopolymer

Inspired by natural surfaces, biomimetic superhydrophobic materials have garnered significant attention for their potential to enhance environmental protection. In particular, superhydrophobic surfaces offer excellent self-cleaning and anti-moisture capabilities, making them highly attractive for building applications to prevent water infiltration and extend lifetime of structures. In this work, we propose a novel design of a bioinspired superhydrophobic surface based on a modified metakaolin geopolymer coated with a carbon nanohorn (CNH) film. This hybrid architecture synergistically combines low surface energy with hierarchical surface roughness to effectively minimize the solid-liquid contact area, mimicking the lotus leaf effect. Results from reactive molecular dynamics method show the high performance of the designed bio-inspired surface, exhibiting a low surface energy of 1.81 meV/Å 2 , a water contact angle in the range of 151° - 157°, and ice adhesion work of 34.87 mJ/m 2 . The obtained reduced solid fraction, increased surface roughness, and nanoscale geometry promotes the Cassie–Baxter wetting regime. Notably, a spontaneous ice detachment is observed with an ice adhesion strength of 14.9 MPa, representing a 92% reduction compared to carbon nanotube arrays. The findings provide a versatile design pathway toward infrastructure materials capable of actively repelling water and ice, with transformative potential for self-cleaning building envelopes, ice-resistant transportation structures, and durable coatings for harsh environments.