title: Ab Initio Determined Phase Diagram of Clean and Solvated Muscovite Mica Surfaces.
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.
authors.affiliation: Department of Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH , Max-Planck Strasse 1, D-40237 Düsseldorf, Germany.
authors.forename: Anoop Kishore
authors.initials: AK
authors.lastname: Vatti
authors.affiliation: Department of Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH , Max-Planck Strasse 1, D-40237 Düsseldorf, Germany.
authors.forename: Mira
authors.initials: M
authors.lastname: Todorova
authors.affiliation: Department of Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH , Max-Planck Strasse 1, D-40237 Düsseldorf, Germany.
authors.forename: Jörg
authors.initials: J
authors.lastname: Neugebauer