Hexagonal boron nitride (hBN) is a two-dimensional (2D) material that is currently being explored in a number of applications, such as atomically thin coatings, water desalination, and biological sensors. In many of these applications, the hBN surface comes into intimate contact with water. In this work, we investigate the wetting and frictional behavior of realistic 2D hBN surfaces with atomic-scale defects and roughness. We combine density functional theory calculations of the charge distribution inside hBN with free energy calculations using molecular dynamics simulations of the hBN−water interface. We find that the presence of surface roughness, but not that of vacancy defects, leads to remarkable agreement with the experimentally observed water contact angle of 66°on freshly synthesized, uncontaminated hBN. Not only that, the inclusion of surface roughness predicts with exceptional accuracy the experimental water slip length of ∼1 nm on hBN. Our results underscore the importance of considering realistic models of 2D materials with surface roughness while modeling nanomaterial−water interfaces in molecular simulations.
Gold nanoparticles (AuNPs) and silver nanoparticles (AgNPs) are extensively studied nanoparticles (NPs) and are known to have profound applications in medicine. The researcher made continuous efforts for the environmental-friendly and economical methods, such as biogenic methods known as green synthesis. There are many strategies for separating and applying gold (Au) and silver (Ag) nanoparticles, of which biological routes have emerged as efficient, low-cost, and environmentally friendly techniques. This review focuses on recent developments of green synthesized AuNPs and AgNPs using biogenic sources such as algae, animals, plants, microbes, bacteria, fungi, and so on. Hence, it discusses their numerous biomedical applications and separating Au and Ag nanoparticles from plants, bacteria, fungi, and algae.
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