Adsorption mechanism of water molecules surrounding Au nanoparticles of different sizes.

Molecular dynamic simulation is used to investigate the adsorption mechanism of water molecules surrounding Au nanoparticles with different sizes. Our results show that the adsorption mechanism of the water molecules in the first water shell will be influenced by the size of the Au nanoparticle. For the larger Au nanoparticles, the hydrogen bonding of water… (More)