Publication
Title
Monolayers of MoS2 as an oxidation protective nanocoating material
Author
Abstract
First-principle calculations are employed to investigate the interaction of oxygen with ideal and defective MoS2 monolayers. Our calculations show that while oxygen atoms are strongly bound on top of sulfur atoms, the oxygen molecule only weakly interacts with the surface. The penetration of oxygen atoms and molecules through a defect-free MoS2 monolayer is prevented by a very high diffusion barrier indicating that MoS2 can serve as a protective layer for oxidation. The analysis is extended to WS2 and similar coating characteristics are obtained. Our calculations indicate that ideal and continuous MoS2 and WS2 monolayers can improve the oxidation and corrosion-resistance of the covered surface and can be considered as an efficient nanocoating material. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.
Language
English
Source (journal)
Journal of applied physics / American Institute of Physics. - New York, N.Y., 1937, currens
Publication
New York, N.Y. : American Institute of Physics, 2014
ISSN
0021-8979 [print]
1089-7550 [online]
Volume/pages
116:8(2014), 7 p.
Article Reference
083508
ISI
000342821600017
Medium
E-only publicatie
Full text (Publishers DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 10.12.2014
Last edited 01.05.2017
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