Using molecular dynamics simulations, we have revealed a novel wetting phenomenon with a droplet on composite structures formed by embedded water into(111) surface of β-cristobalite hydroxylated silica. This can be a...Using molecular dynamics simulations, we have revealed a novel wetting phenomenon with a droplet on composite structures formed by embedded water into(111) surface of β-cristobalite hydroxylated silica. This can be attributed to the formation of a composite structure composed of embedded water molecules and the surface hydroxyl(–OH) groups,which reduces the number of hydrogen bonds between the composite structure and the water droplet above the composite structure. Interestingly, a small uniform strain(±3%) applied to the crystal lattice of the hydroxylated silica surface can result in a notable change of the contact angles(> 40°) on the surface. The finding provides new insights into the correlation between the molecular-scale interfacial water structures and the macroscopic wettability of the hydroxylated silica surface.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant No.11674345)the Key Research Program of Chinese Academy of Sciences(Grant No. QYZDJ-SSW-SLH019)the Fundamental Research Funds for the Central Universities,China。
文摘Using molecular dynamics simulations, we have revealed a novel wetting phenomenon with a droplet on composite structures formed by embedded water into(111) surface of β-cristobalite hydroxylated silica. This can be attributed to the formation of a composite structure composed of embedded water molecules and the surface hydroxyl(–OH) groups,which reduces the number of hydrogen bonds between the composite structure and the water droplet above the composite structure. Interestingly, a small uniform strain(±3%) applied to the crystal lattice of the hydroxylated silica surface can result in a notable change of the contact angles(> 40°) on the surface. The finding provides new insights into the correlation between the molecular-scale interfacial water structures and the macroscopic wettability of the hydroxylated silica surface.
