Adsorption of Ne on alkali surfaces studied with a density functional theory

Area of Science:

• Physical Chemistry
• Materials Science
• Surface Science

Background:

• Understanding gas adsorption on solid surfaces is crucial for materials science and chemical processes.
• Wetting phenomena, particularly at different temperatures, dictate surface interactions and material properties.

Purpose of the Study:

• To investigate the wetting behavior of neon (Ne) adsorbed on planar substrates using a density functional formalism.
• To analyze Ne adsorption across the temperature range from the triple point (T_{t}) to the critical point (T_{c}).
• To examine Ne adsorption on alkali metals and magnesium (Mg) to understand the effect of substrate attractive strength.

Main Methods:

• Application of a density functional formalism.
• Development of an effective attractive pair potential using a separation procedure.
• Analysis of adsorption on substrates with increasing attractive strength (alkali metals and Mg).

Main Results:

• The density functional approach accurately describes the liquid-vapor interface properties from T_{t} to T_{c}.
• Neon fully wets surfaces of sodium (Na) and lithium (Li).
• Varied wetting situations and prewetting lines were observed for Ne on rubidium (Rb), potassium (K), and magnesium (Mg), with interesting behavior near T_{t} for Ne/Mg.

Conclusions:

• The study provides a comprehensive understanding of Ne wetting behavior on different substrates.
• Density functional theory is a reliable method for predicting adsorption and wetting phenomena.
• The findings offer insights into surface interactions relevant to cryogenics and materials engineering.