Molecular Dynamics Studies of Interfacial Water at the Alumina Surface
Citations Over TimeTop 10% of 2011 papers
Abstract
Interfacial water properties at the alumina surface were investigated via all-atom equilibrium molecular dynamics simulations at ambient temperature. Al-terminated and OH-terminated alumina surfaces were considered to assess the structural and dynamic behavior of the first few hydration layers in contact with the substrates. Density profiles suggest water layering up to ∼10 Å from the solid substrate. Planar density distribution data indicate that water molecules in the first interfacial layer are organized in well-defined patterns dictated by the atomic terminations of the alumina surface. Interfacial water exhibits preferential orientation and delayed dynamics compared to bulk water. Water exhibits bulk-like behavior at distances greater than ∼10 Å from the substrate. The formation of an extended hydrogen bond network within the first few hydration layers illustrates the significance of water−water interactions on the structural properties at the interface.
Related Papers
- → Effect of Spherical Crustal Layering (SH Waves)(1968)3 cited
- → Experiments on the Layering of Hops II. Layering Young Plants(1948)
- The optimium technique on upper air layering rooting of Salacca zalacca(2014)
- NORMAL SECTIONAL CALCULATION OF REINFORCED LAYERING OBJECT OF SMALL LAYERING BLOCK WITH CORE GROUTED CONCRETE(2001)
- → EFFECT OF TIME AND IBA CONCENTRATION ON THE PERFORMANCE OF BAY LEAF LAYERING(2021)