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

Anoop Kishore Vatti; Mira Todorova; Jörg Neugebauer

doi:10.1021/acs.langmuir.5b04087

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

Anoop Kishore Vatti
, Mira Todorova^*
, Jörg Neugebauer

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

12 Citations (Scopus)

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.

Original language	English
Pages (from-to)	1027-1033
Number of pages	7
Journal	Langmuir
Volume	32
Issue number	4
DOIs	https://doi.org/10.1021/acs.langmuir.5b04087
Publication status	Published - 02-02-2016

All Science Journal Classification (ASJC) codes

General Materials Science
Condensed Matter Physics
Surfaces and Interfaces
Spectroscopy
Electrochemistry

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10.1021/acs.langmuir.5b04087

Cite this

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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.",

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AU - Vatti, Anoop Kishore

AU - Todorova, Mira

AU - Neugebauer, Jörg

PY - 2016/2/2

Y1 - 2016/2/2

N2 - 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.

AB - 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.

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

Abstract

All Science Journal Classification (ASJC) codes

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