Our primary research interests lie at the intersection of nanotechnology, colloids, solid-liquid, surfactants, bio-molecules interfaces, especially to investigate the mechanism of the growth of nanoparticles and their surface modifications to tailor their shape and size for a particular application. We recently demonstrated the shape control in gold nanoparticles and formation mechanism of Janus nanoparticles using molecular dynamic simulations and experiments. 

Shape Control in Gold Nanoparticles

Directly manipulating and controlling the size and shape of metal nanoparticles is a key step for their tailored applications. we combined molecular dynamics simulations and experimental studies to understand the microscopic origin of the asymmetric growth mechanism in gold nanorods. We dissected the role of the different component of the solution such as CTAB surfactant, the geometry of the seed particles, halide and silver ions on the growth of nanorods.

Janus nanoparticles formation mechanism

Our simulations explained the mechanism behind the Janus nanoparticles formation and suggested the formation of domains rich in acid-terminated chains, on one hand, and of domains rich in amide-functionalized ethylene glycol oligomers, on the other hand. In particular, within the amide-ethylene glycol oligomers region, a key role is played by the formation of interchain hydrogen bonds. The predicted phase segregation is experimentally confirmed by the synthesis of 35 and 15 nm gold nanoparticles functionalized with several binary mixtures of ligands. 

                                             Meena et al., ACS Nano, 2017, 11(7), 7371-7381