Structure and stability of thin water films on quartz surfaces

摘要

We investigated thin water films on quartz (0001) surfaces using first-principles density functional theory calculations. Interfacial structure and energetics were studied through a layer-by-layer deposition. From monolayer to multilayer, the low energy state configurations and adsorption sites show a transition due to formation of a highly stable bilayer membranelike structure. The water adsorption energy on a quartz surface coated by this membrane is of typical hydrogen bond strength for both dry and fully hydroxylated surfaces. The interactions between the surface and the water films are short-ranged due to shielding of the bilayer.