Ab Initio Determined Phase Diagram of Clean and Solvated Muscovite Mica Surfaces

Langmuir. 2016 Feb 2;32(4):1027-33. doi: 10.1021/acs.langmuir.5b04087. Epub 2016 Jan 20.

Abstract

Focusing on muscovite mica, the most significant phyllosilicate in the mica series, we determine its surface phase diagram employing density functional theory. Surfaces in vacuum and in more realistic environmental conditions, that is, the surface in contact with water or an ionic liquid, are considered. These results naturally explain experimental observations such as the swelling of mica when it comes into contact with water.

Publication types

  • Research Support, Non-U.S. Gov't