2021/02/05 by Dangxin Mao, Mao, Dangxin, Xian Wang +9
Earth and Planetary Sciences · Engineering · Physics and Astronomy · #Applied Physics (physics.app-ph) #Biological Physics (physics.bio-ph) #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Molecular Junctions and Nanostructures #Spectroscopy and Quantum Chemical Studies #nanoparticles nucleation surface interactions
paper · pdf · doi:10.48550/arxiv.2102.03095
openalex publication_date 2021/02/05 · openalex created_date 2021/02/15 · openalex updated_date 2026/07/28
Current major approaches to access surface hydrophobicity include directly introducing hydrophobic nonpolar groups/molecules into surface or elaborately fabricating surface roughness. Here, for the first time, molecular dynamics simulations show an unexpected hydrophobicity with a contact angle of 82o on a flexible self-assembled monolayer terminated only with two hydrophilic OH groups ((OH)2 - SAM). This hydrophobicity is attributed to the formation of a hexagonal-ice-like H-bonding structure in the OH matrix of (OH)2 - SAM, which sharply reduces the hydrogen bonds between surface and water molecules above. The unique simple interface presented here offers a significant molecular-level platform for examining the bio-interfacial interactions ranging from biomolecules binding to cell adhesion.