Enhancement of water self-diffusion at super-hydrophilic surface with ordered water
Project supported by the National Natural Science Foundation of China (Grant Nos. 11290164, 11674345, and U1532260), the Key Research Program of Chinese Academy of Sciences (Grant Nos. KJZD-EW-M03 and QYZDJ-SSW-SLH019), the Youth Innovation Promotion Association, Chinese Academy of Sciences, the Shanghai Supercomputer Center of China, the Computer Network Information Center of Chinese Academy of Sciences, and the Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase), China.
(color online) (a) Geometry of solid surface model. Red and blue spheres represent solid atoms with positive and negative charges, respectively, while cyan spheres denote neutral solid atoms. (b) Side view snapshot of the first series simulation system. (c) Snapshot of ordered first water layer structure on type 1 surface (l = 0.142 nm), where water molecules show a regular two-dimensional ordered hexagonal structure together with H bonds (the blue lines) forming between the neighbor water molecules. (d) Snapshot of the disordered first water layer structure on type 2 surface (l = 0.170 nm). (e) Side-view snapshot of a water droplet on a water monolayer on type 1 surface (l = 0.142 nm). (f) Water film completely spreads on type 2 surface (l = 0.170 nm).
