Contribution of the dispersion interaction to the interface energy of cobalt crystals at the boundary with nonpolar organic liquids

Abstract

The active implementation of devices based on the use of the properties of the metal-organic interface makes it important to study characteristics of such interfaces, especially of the metal-organic framework structures. The creation of these structures with the necessary properties is possible since one can vary the elemental composition in the active metal centers as well as the organic ligands binding these centers. In this regard, understanding the properties and nature of the interaction at the interface of a metal with organic substances becomes of primary interest. In this work, within the framework of the electron-statistical method, a correction to the interfacial energy of cobalt at the interface with non-polar organic liquids for the dispersion interaction of the Wigner-Seitz cells is obtained. The dependences of the dispersion correction on the orientation of the metal crystal and the permittivity of the organic liquid are determined. It is shown that the contribution of the dispersion correction to the interfacial energy is positive and decreases with an increase of the permittivity of the liquid.

Keywords

• interfacial energy
• dispersion contribution
• electron-statistical method
• non-polar organic liquid
• cobalt